changed makefile: material subroutines are now compiled using openmp, enabled linux threads for fftw3 (also did some slight changes to enable that in the fortran source code)
renamed mpie_spectral2.f90 to mpie_spectral2d.f90 (testing file, not properly working at the moment) changed file extension and variable names in mpie_spectral.f90 and mpie_spectral_interface.f90 from "mesh" to "geom". Removed direct output from mpie_spectral.f90, all output is now base on materialpoint_results(:,1,:)
This commit is contained in:
Martin Diehl
parent
9447330ab0
commit
71fb5eedf2
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@ -1,22 +1,29 @@
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cpspectral.out: mpie_spectral.o CPFEM.a
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# Makefile to compile the Material subroutine for BVP solution using spectral method.
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ifort -o cpspectral.out mpie_spectral.o CPFEM.a libfftw3_threads.a libfftw3.a constitutive.a advanced.a basics.a -lpthread
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#
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# Uses openmp to parallelise the material subroutines (set number of cores with "export MPIE_NUM_THREADS=n" to n)
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# Uses linux threads to parallelise fftw3 (should also be possible with openmp)
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# Besides of the f90 files written at MPIE, the two library files of fftw3 "libfftw3_threads.a" "libfftw3.a" are also needed
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# Install fftw3 (v3.2.2 is tested) with "./configure --enable-threads" and "make", "make install" is not needed
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# as long as the two library files are copied to the source code directory.
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cpspectral.out: mpie_spectral.o CPFEM.a
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ifort -openmp -o cpspectral.out mpie_spectral.o CPFEM.a libfftw3_threads.a libfftw3.a constitutive.a advanced.a basics.a -lpthread
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mpie_spectral.o: mpie_spectral.f90 CPFEM.o
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mpie_spectral.o: mpie_spectral.f90 CPFEM.o
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ifort -c -O3 -heap-arrays 500000000 mpie_spectral.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 mpie_spectral.f90
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CPFEM.a: CPFEM.o
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CPFEM.a: CPFEM.o
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ar rc CPFEM.a homogenization.o homogenization_RGC.o homogenization_isostrain.o crystallite.o CPFEM.o constitutive.o
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ar rc CPFEM.a homogenization.o homogenization_RGC.o homogenization_isostrain.o crystallite.o CPFEM.o constitutive.o
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CPFEM.o: CPFEM.f90 homogenization.o
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CPFEM.o: CPFEM.f90 homogenization.o
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ifort -c -O3 -heap-arrays 500000000 CPFEM.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 CPFEM.f90
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homogenization.o: homogenization.f90 homogenization_isostrain.o homogenization_RGC.o crystallite.o
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homogenization.o: homogenization.f90 homogenization_isostrain.o homogenization_RGC.o crystallite.o
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ifort -c -O3 -heap-arrays 500000000 homogenization.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 homogenization.f90
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homogenization_RGC.o: homogenization_RGC.f90 constitutive.a
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homogenization_RGC.o: homogenization_RGC.f90 constitutive.a
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ifort -c -O3 -heap-arrays 500000000 homogenization_RGC.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 homogenization_RGC.f90
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homogenization_isostrain.o: homogenization_isostrain.f90 basics.a advanced.a
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homogenization_isostrain.o: homogenization_isostrain.f90 basics.a advanced.a
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ifort -c -O3 -heap-arrays 500000000 homogenization_isostrain.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 homogenization_isostrain.f90
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crystallite.o: crystallite.f90 constitutive.a
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crystallite.o: crystallite.f90 constitutive.a
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ifort -c -O3 -heap-arrays 500000000 crystallite.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 crystallite.f90
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@ -24,22 +31,22 @@ constitutive.a: constitutive.o
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ar rc constitutive.a constitutive.o constitutive_titanmod.o constitutive_nonlocal.o constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o basics.a advanced.a
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ar rc constitutive.a constitutive.o constitutive_titanmod.o constitutive_nonlocal.o constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o basics.a advanced.a
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constitutive.o: constitutive.f90 constitutive_titanmod.o constitutive_nonlocal.o constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o
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constitutive.o: constitutive.f90 constitutive_titanmod.o constitutive_nonlocal.o constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o
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ifort -c -O3 -heap-arrays 500000000 constitutive.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 constitutive.f90
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constitutive_titanmod.o: constitutive_titanmod.f90 basics.a advanced.a
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constitutive_titanmod.o: constitutive_titanmod.f90 basics.a advanced.a
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ifort -c -O3 -heap-arrays 500000000 constitutive_titanmod.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 constitutive_titanmod.f90
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constitutive_nonlocal.o: constitutive_nonlocal.f90 basics.a advanced.a
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constitutive_nonlocal.o: constitutive_nonlocal.f90 basics.a advanced.a
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ifort -c -O3 -heap-arrays 500000000 constitutive_nonlocal.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 constitutive_nonlocal.f90
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constitutive_dislotwin.o: constitutive_dislotwin.f90 basics.a advanced.a
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constitutive_dislotwin.o: constitutive_dislotwin.f90 basics.a advanced.a
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ifort -c -O3 -heap-arrays 500000000 constitutive_dislotwin.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 constitutive_dislotwin.f90
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constitutive_j2.o: constitutive_j2.f90 basics.a advanced.a
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constitutive_j2.o: constitutive_j2.f90 basics.a advanced.a
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ifort -c -O3 -heap-arrays 500000000 constitutive_j2.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 constitutive_j2.f90
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constitutive_phenopowerlaw.o: constitutive_phenopowerlaw.f90 basics.a advanced.a
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constitutive_phenopowerlaw.o: constitutive_phenopowerlaw.f90 basics.a advanced.a
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ifort -c -O3 -heap-arrays 500000000 constitutive_phenopowerlaw.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 constitutive_phenopowerlaw.f90
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@ -47,13 +54,13 @@ advanced.a: lattice.o
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ar rc advanced.a FEsolving.o mesh.o material.o lattice.o
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ar rc advanced.a FEsolving.o mesh.o material.o lattice.o
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lattice.o: lattice.f90 material.o
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lattice.o: lattice.f90 material.o
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ifort -c -O3 -heap-arrays 500000000 lattice.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 lattice.f90
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material.o: material.f90 mesh.o
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material.o: material.f90 mesh.o
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ifort -c -O3 -heap-arrays 500000000 material.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 material.f90
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mesh.o: mesh.f90 FEsolving.o
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mesh.o: mesh.f90 FEsolving.o
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ifort -c -O3 -heap-arrays 500000000 mesh.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 mesh.f90
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FEsolving.o: FEsolving.f90 basics.a
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FEsolving.o: FEsolving.f90 basics.a
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ifort -c -O3 -heap-arrays 500000000 FEsolving.f90
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ifort -openmp -c -O3 -heap-arrays 500000000 FEsolving.f90
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@ -61,16 +68,16 @@ basics.a: debug.o math.o
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ar rc basics.a debug.o math.o numerics.o IO.o mpie_spectral_interface.o prec.o
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ar rc basics.a debug.o math.o numerics.o IO.o mpie_spectral_interface.o prec.o
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debug.o: debug.f90 numerics.o
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debug.o: debug.f90 numerics.o
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ifort -c -O3 debug.f90
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ifort -openmp -c -O3 debug.f90
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math.o: math.f90 numerics.o
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math.o: math.f90 numerics.o
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ifort -c -O3 math.f90
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ifort -openmp -c -O3 math.f90
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numerics.o: numerics.f90 IO.o
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numerics.o: numerics.f90 IO.o
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ifort -c -O3 numerics.f90
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ifort -openmp -c -O3 numerics.f90
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IO.o: IO.f90 mpie_spectral_interface.o
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IO.o: IO.f90 mpie_spectral_interface.o
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ifort -c -O3 IO.f90
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ifort -openmp -c -O3 IO.f90
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mpie_spectral_interface.o: mpie_spectral_interface.f90 prec.o
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mpie_spectral_interface.o: mpie_spectral_interface.f90 prec.o
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ifort -c -O3 mpie_spectral_interface.f90
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ifort -openmp -c -O3 mpie_spectral_interface.f90
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prec.o: prec.f90
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prec.o: prec.f90
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ifort -c -O3 prec.f90
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ifort -openmp -c -O3 prec.f90
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@ -15,7 +15,7 @@
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!
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!
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!********************************************************************
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!********************************************************************
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! Usage:
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! Usage:
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! - start program with mpie_spectral PathToMeshFile/NameOfMesh.mesh
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! - start program with mpie_spectral PathToGeomFile/NameOfGeom.geom
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! PathToLoadFile/NameOfLoadFile.load
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! PathToLoadFile/NameOfLoadFile.load
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! - PathToLoadFile will be the working directory
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! - PathToLoadFile will be the working directory
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! - make sure the file "material.config" exists in the working
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! - make sure the file "material.config" exists in the working
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@ -28,19 +28,20 @@ program mpie_spectral
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use prec, only: pInt, pReal
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use prec, only: pInt, pReal
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use IO
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use IO
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use math
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use math
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use CPFEM, only: CPFEM_general
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use CPFEM, only: CPFEM_general, CPFEM_initAll
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use numerics, only: relevantStrain, rTol_crystalliteStress !ToDo: change to really needed variables
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use numerics, only: relevantStrain, rTol_crystalliteStress, mpieNumThreadsInt !ToDo: change to really needed variables
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use homogenization, only: materialpoint_sizeResults, materialpoint_results
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use homogenization, only: materialpoint_sizeResults, materialpoint_results
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!$ use OMP_LIB ! the openMP function library
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implicit none
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implicit none
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include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
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include 'fftw3.f' !header file for fftw3 (declaring variables). Library files are also needed
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! variables to read from loadcase and mesh file
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! variables to read from loadcase and geom file
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real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
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real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
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integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
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integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
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integer(pInt), dimension (1+maxNchunksInput*2) :: posInput
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integer(pInt), dimension (1+maxNchunksInput*2) :: posInput
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integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values
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integer(pInt), parameter :: maxNchunksGeom = 7 ! 4 identifiers, 3 values
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integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh
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integer(pInt), dimension (1+2*maxNchunksGeom) :: posGeom
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integer(pInt) unit, N_l, N_s, N_t, N_n ! numbers of identifiers
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integer(pInt) unit, N_l, N_s, N_t, N_n ! numbers of identifiers
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character(len=1024) path, line
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character(len=1024) path, line
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logical gotResolution,gotDimension,gotHomogenization
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logical gotResolution,gotDimension,gotHomogenization
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@ -55,9 +56,9 @@ program mpie_spectral
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integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
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integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
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logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions
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logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions
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! variables storing information from mesh file
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! variables storing information from geom file
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real(pReal) wgt
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real(pReal) wgt
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real(pReal), dimension(3) :: meshdimension
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real(pReal), dimension(3) :: geomdimension
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integer(pInt) homog, prodnn
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integer(pInt) homog, prodnn
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integer(pInt), dimension(3) :: resolution
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integer(pInt), dimension(3) :: resolution
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@ -66,6 +67,7 @@ program mpie_spectral
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pstress, pstress_av, cstress_av, defgrad_av,&
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pstress, pstress_av, cstress_av, defgrad_av,&
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defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
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defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
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mask_stress, mask_defgrad
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mask_stress, mask_defgrad
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real(pReal), dimension(3,3,3) :: temp333_Real
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real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0
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real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0
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real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation
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real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation
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real(pReal), dimension(6,6) :: dsde, c066, s066
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real(pReal), dimension(6,6) :: dsde, c066, s066
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@ -82,7 +84,7 @@ program mpie_spectral
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integer*8, dimension(2,3,3) :: plan_fft
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integer*8, dimension(2,3,3) :: plan_fft
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! convergence etc.
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! convergence etc.
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real(pReal) err_div, err_stress, err_defgrad
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real(pReal) err_div, err_stress, err_defgrad, err_div_temp
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real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, err_defgrad_tol, sigma0
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real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, err_defgrad_tol, sigma0
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integer(pInt) itmax, ierr
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integer(pInt) itmax, ierr
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logical errmatinv
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logical errmatinv
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@ -93,14 +95,7 @@ program mpie_spectral
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integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode
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integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode
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real(pReal) temperature ! not used, but needed for call to CPFEM_general
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real(pReal) temperature ! not used, but needed for call to CPFEM_general
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!$ call omp_set_num_threads(4) ! set number of threads for parallel execution set by MPIE_NUM_THREADS
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!gmsh output
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character(len=1024) :: nriter
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character(len=1024) :: nrstep
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character(len=1024) :: nrloadcase
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real(pReal), dimension(:,:,:,:), allocatable :: displacement
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!gmsh output
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!Initializing
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!Initializing
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bc_maskvector = ''
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bc_maskvector = ''
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unit = 234_pInt
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unit = 234_pInt
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@ -110,12 +105,13 @@ program mpie_spectral
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N_l = 0_pInt; N_s = 0_pInt
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N_l = 0_pInt; N_s = 0_pInt
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N_t = 0_pInt; N_n = 0_pInt
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N_t = 0_pInt; N_n = 0_pInt
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resolution = 1_pInt; meshdimension = 0.0_pReal
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resolution = 1_pInt; geomdimension = 0.0_pReal
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err_div_tol = 1.0e-6
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err_div_tol = 1.0e-4
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itmax = 250_pInt
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itmax = 250_pInt
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err_stress_tolrel=0.01
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err_stress_tolrel=0.01
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err_defgrad_tol=1.0e-5
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err_defgrad_tol=1.0e-5
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err_defgrad_tol=1.0e-3 ! for test
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temperature = 300.0_pReal
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temperature = 300.0_pReal
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gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
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gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
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@ -150,9 +146,9 @@ program mpie_spectral
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call IO_error(46,ext_msg = path) ! error message for incomplete input file
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call IO_error(46,ext_msg = path) ! error message for incomplete input file
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enddo
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enddo
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! allocate memory depending on lines in input file
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101 N_Loadcases = N_l
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101 N_Loadcases = N_l
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! allocate memory depending on lines in input file
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allocate (bc_velocityGrad(3,3,N_Loadcases)); bc_velocityGrad = 0.0_pReal
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allocate (bc_velocityGrad(3,3,N_Loadcases)); bc_velocityGrad = 0.0_pReal
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allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal
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allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal
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allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false.
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allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false.
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@ -204,7 +200,7 @@ program mpie_spectral
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print *, ''
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print *, ''
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enddo
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enddo
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!read header of mesh file to get the information needed before the complete mesh file is intepretated by mesh.f90
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!read header of geom file to get the information needed before the complete geom file is intepretated by mesh.f90
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path = getSolverJobName()
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path = getSolverJobName()
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print*,'JobName: ',trim(path)
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print*,'JobName: ',trim(path)
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if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path)
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if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path)
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@ -213,34 +209,34 @@ program mpie_spectral
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do
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do
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read(unit,'(a1024)',END = 100) line
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read(unit,'(a1024)',END = 100) line
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if (IO_isBlank(line)) cycle ! skip empty lines
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if (IO_isBlank(line)) cycle ! skip empty lines
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posMesh = IO_stringPos(line,maxNchunksMesh)
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posGeom = IO_stringPos(line,maxNchunksGeom)
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select case ( IO_lc(IO_StringValue(line,posMesh,1)) )
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select case ( IO_lc(IO_StringValue(line,posGeom,1)) )
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case ('dimension')
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case ('dimension')
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gotDimension = .true.
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gotDimension = .true.
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do i = 2,6,2
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do i = 2,6,2
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select case (IO_lc(IO_stringValue(line,posMesh,i)))
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select case (IO_lc(IO_stringValue(line,posGeom,i)))
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case('x')
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case('x')
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meshdimension(1) = IO_floatValue(line,posMesh,i+1)
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geomdimension(1) = IO_floatValue(line,posGeom,i+1)
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case('y')
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case('y')
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meshdimension(2) = IO_floatValue(line,posMesh,i+1)
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geomdimension(2) = IO_floatValue(line,posGeom,i+1)
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case('z')
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case('z')
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meshdimension(3) = IO_floatValue(line,posMesh,i+1)
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geomdimension(3) = IO_floatValue(line,posGeom,i+1)
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end select
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end select
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enddo
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enddo
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case ('homogenization')
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case ('homogenization')
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gotHomogenization = .true.
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gotHomogenization = .true.
|
||||||
homog = IO_intValue(line,posMesh,2)
|
homog = IO_intValue(line,posGeom,2)
|
||||||
case ('resolution')
|
case ('resolution')
|
||||||
gotResolution = .true.
|
gotResolution = .true.
|
||||||
do i = 2,6,2
|
do i = 2,6,2
|
||||||
select case (IO_lc(IO_stringValue(line,posMesh,i)))
|
select case (IO_lc(IO_stringValue(line,posGeom,i)))
|
||||||
case('a')
|
case('a')
|
||||||
resolution(1) = IO_intValue(line,posMesh,i+1)
|
resolution(1) = IO_intValue(line,posGeom,i+1)
|
||||||
case('b')
|
case('b')
|
||||||
resolution(2) = IO_intValue(line,posMesh,i+1)
|
resolution(2) = IO_intValue(line,posGeom,i+1)
|
||||||
case('c')
|
case('c')
|
||||||
resolution(3) = IO_intValue(line,posMesh,i+1)
|
resolution(3) = IO_intValue(line,posGeom,i+1)
|
||||||
end select
|
end select
|
||||||
enddo
|
enddo
|
||||||
end select
|
end select
|
||||||
|
|
@ -249,7 +245,7 @@ program mpie_spectral
|
||||||
100 close(unit)
|
100 close(unit)
|
||||||
|
|
||||||
print '(a,/,i4,i4,i4)','resolution a b c', resolution
|
print '(a,/,i4,i4,i4)','resolution a b c', resolution
|
||||||
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension
|
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', geomdimension
|
||||||
print *,'homogenization',homog
|
print *,'homogenization',homog
|
||||||
|
|
||||||
allocate (workfft(resolution(1)/2+1,resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
|
allocate (workfft(resolution(1)/2+1,resolution(2),resolution(3),3,3)); workfft = 0.0_pReal
|
||||||
|
|
@ -260,29 +256,34 @@ program mpie_spectral
|
||||||
allocate (defgrad(resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal
|
allocate (defgrad(resolution(1),resolution(2),resolution(3),3,3)); defgrad = 0.0_pReal
|
||||||
allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal
|
allocate (defgradold(resolution(1),resolution(2),resolution(3),3,3)); defgradold = 0.0_pReal
|
||||||
allocate (ddefgrad(resolution(1),resolution(2),resolution(3))); ddefgrad = 0.0_pReal
|
allocate (ddefgrad(resolution(1),resolution(2),resolution(3))); ddefgrad = 0.0_pReal
|
||||||
allocate (displacement(resolution(1),resolution(2),resolution(3),3)); displacement = 0.0_pReal
|
|
||||||
! Initialization of fftw (see manual on fftw.org for more details)
|
! Initialization of fftw (see manual on fftw.org for more details)
|
||||||
call dfftw_init_threads(ierr)
|
call dfftw_init_threads(ierr) !toDo: add error code
|
||||||
call dfftw_plan_with_nthreads(4)
|
call dfftw_plan_with_nthreads(mpieNumThreadsInt)
|
||||||
do m = 1,3; do n = 1,3
|
do m = 1,3; do n = 1,3
|
||||||
call dfftw_plan_dft_r2c_3d(plan_fft(1,m,n),resolution(1),resolution(2),resolution(3),&
|
call dfftw_plan_dft_r2c_3d(plan_fft(1,m,n),resolution(1),resolution(2),resolution(3),&
|
||||||
pstress_field(:,:,:,m,n), workfft(:,:,:,m,n), FFTW_PATIENT)
|
pstress_field(:,:,:,m,n), workfft(:,:,:,m,n), FFTW_PATIENT)
|
||||||
call dfftw_plan_dft_c2r_3d(plan_fft(2,m,n),resolution(1),resolution(2),resolution(3),&
|
call dfftw_plan_dft_c2r_3d(plan_fft(2,m,n),resolution(1),resolution(2),resolution(3),&
|
||||||
workfft(:,:,:,m,n), ddefgrad(:,:,:), FFTW_PATIENT)
|
workfft(:,:,:,m,n), ddefgrad(:,:,:), FFTW_PATIENT)
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
|
|
||||||
|
!try to make just one call instead of 9 for the r2c transform. Not working yet
|
||||||
|
! call dfftw_plan_many_dft_r2c_(plan_fft(1,1,1),3,(/resolution(1),resolution(2),resolution(3)/),9,&
|
||||||
|
!pstress_field(:,:,:,:,:),NULL,(/resolution(1),resolution(2),resolution(3)/),1, workfft(:,:,:,m,n),NULL, FFTW_PATIENT)
|
||||||
|
!
|
||||||
prodnn = resolution(1)*resolution(2)*resolution(3)
|
prodnn = resolution(1)*resolution(2)*resolution(3)
|
||||||
wgt = 1_pReal/real(prodnn, pReal)
|
wgt = 1_pReal/real(prodnn, pReal)
|
||||||
defgradAim = math_I3
|
defgradAim = math_I3
|
||||||
defgradAimOld = math_I3
|
defgradAimOld = math_I3
|
||||||
defgrad_av = math_I3
|
defgrad_av = math_I3
|
||||||
! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
|
! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
|
||||||
|
call CPFEM_initAll(temperature,1_pInt,1_pInt)
|
||||||
ielem = 0_pInt
|
ielem = 0_pInt
|
||||||
c066 = 0.0_pReal
|
c066 = 0.0_pReal
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
defgradold(i,j,k,:,:) = math_I3 !no deformation at the beginning
|
defgradold(i,j,k,:,:) = math_I3 !no deformation at the beginning
|
||||||
defgrad(i,j,k,:,:) = math_I3
|
defgrad(i,j,k,:,:) = math_I3
|
||||||
ielem = ielem +1
|
ielem = ielem +1
|
||||||
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
|
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
|
||||||
c066 = c066 + dsde
|
c066 = c066 + dsde
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
@ -301,35 +302,34 @@ program mpie_spectral
|
||||||
do i = 1, resolution(1)/2+1
|
do i = 1, resolution(1)/2+1
|
||||||
k_s(1) = i-1
|
k_s(1) = i-1
|
||||||
xi(i,j,k,3) = 0.0_pReal
|
xi(i,j,k,3) = 0.0_pReal
|
||||||
if(resolution(3) > 1) xi(i,j,k,3) = real(k_s(3), pReal)/meshdimension(3)
|
if(resolution(3) > 1) xi(i,j,k,3) = real(k_s(3), pReal)/geomdimension(3)
|
||||||
xi(i,j,k,2) = real(k_s(2), pReal)/meshdimension(2)
|
xi(i,j,k,2) = real(k_s(2), pReal)/geomdimension(2)
|
||||||
xi(i,j,k,1) = real(k_s(1), pReal)/meshdimension(1)
|
xi(i,j,k,1) = real(k_s(1), pReal)/geomdimension(1)
|
||||||
if (any(xi(i,j,k,:) /= 0.0_pReal)) then
|
if (any(xi(i,j,k,:) /= 0.0_pReal)) then
|
||||||
do l = 1,3; do m = 1,3
|
do l = 1,3; do m = 1,3
|
||||||
xinormdyad(l,m) = xi(i,j,k, l)*xi(i,j,k, m)/sum(xi(i,j,k,:)**2)
|
xinormdyad(l,m) = xi(i,j,k, l)*xi(i,j,k, m)/sum(xi(i,j,k,:)**2)
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
else
|
else
|
||||||
xinormdyad = 0.0_pReal
|
xinormdyad = 0.0_pReal
|
||||||
endif
|
endif
|
||||||
temp33_Real = math_mul3333xx33(c0, xinormdyad)
|
temp33_Real = math_mul3333xx33(c0, xinormdyad)
|
||||||
temp33_Real = math_inv3x3(temp33_Real)
|
temp33_Real = math_inv3x3(temp33_Real)
|
||||||
do l=1,3; do m=1,3; do n=1,3; do p=1,3
|
do l=1,3; do m=1,3; do n=1,3; do p=1,3
|
||||||
gamma_hat(i,j,k, l,m,n,p) = - temp33_Real(l,n) * xinormdyad(m,p)
|
gamma_hat(i,j,k, l,m,n,p) = - (0.5*temp33_Real(l,n)+0.5*temp33_Real(n,l)) *&
|
||||||
! gamma_hat(i,j,k, l,m,n,p) = - 0.5_pReal * temp33_Real(l,n) * xinormdyad(m,p)& ! symmetrization????????
|
(0.5*xinormdyad(m,p)+0.5*xinormdyad(p,m))
|
||||||
! - 0.5_pReal * temp33_Real(m,n) * xinormdyad(l,p)
|
enddo; enddo; enddo; enddo
|
||||||
enddo; enddo; enddo; enddo
|
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
open(539,file='stress-strain.out')
|
! write header of output file
|
||||||
open(538,file='results.out') ! write header of output file
|
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.out',form='UNFORMATTED')
|
||||||
path = getLoadcaseName()
|
write(538), 'Loadcase',trim(getLoadcaseName())
|
||||||
write(538,*), 'Loadcase: ',trim(path)
|
write(538), 'Workingdir',trim(getSolverWorkingDirectoryName())
|
||||||
write(538,*), 'Workingdir: ',trim(getSolverWorkingDirectoryName())
|
write(538), 'JobName',trim(getSolverJobName())//InputFileExtension
|
||||||
path = getSolverJobName()
|
write(538), 'resolution','a', resolution(1),'b', resolution(2),'c', resolution(3)
|
||||||
write(538,*), 'JobName: ',trim(path)
|
write(538), 'geomdimension','x', geomdimension(1),'y', geomdimension(2),'z', geomdimension(3)
|
||||||
write(538,*), 'resolution a b c', resolution
|
write(538), 'materialpoint_sizeResults', materialpoint_sizeResults
|
||||||
write(538,'(a,f6.1,f6.1,f6.1)'), 'dimension x y z', meshdimension
|
write(538), 'totalincs', sum(bc_steps)
|
||||||
write(538,*), 'materialpoint_sizeResults', materialpoint_sizeResults
|
write(538) materialpoint_results(:,1,:)
|
||||||
! Initialization done
|
! Initialization done
|
||||||
|
|
||||||
!*************************************************************
|
!*************************************************************
|
||||||
|
|
@ -362,13 +362,13 @@ program mpie_spectral
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||||
calcmode = 0_pInt ! start calculation of BC fullfillment
|
calcmode = 0_pInt ! start calculation of BC fulfillment
|
||||||
CPFEM_mode = 1_pInt ! winding forward
|
CPFEM_mode = 1_pInt ! winding forward
|
||||||
iter = 0_pInt
|
iter = 0_pInt
|
||||||
err_div= 2_pReal * err_div_tol ! go into loop
|
err_div= 2_pReal * err_div_tol ! go into loop
|
||||||
defgradAimCorr = 0.0_pReal ! reset damping calculation
|
defgradAimCorr = 0.0_pReal ! reset damping calculation
|
||||||
damper = damper * 0.9_pReal
|
damper = damper * 0.9_pReal
|
||||||
|
|
||||||
!*************************************************************
|
!*************************************************************
|
||||||
! convergence loop
|
! convergence loop
|
||||||
do while( iter <= itmax .and. &
|
do while( iter <= itmax .and. &
|
||||||
|
|
@ -391,17 +391,20 @@ program mpie_spectral
|
||||||
cstress,dsde, pstress, dPdF)
|
cstress,dsde, pstress, dPdF)
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
|
||||||
ielem = 0_pInt
|
ielem = 0_pInt
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
ielem = ielem + 1
|
ielem = ielem + 1_pInt
|
||||||
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||||
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort)
|
defgradold(i,j,k,:,:), defgrad(i,j,k,:,:),& ! others get 2 (saves winding forward effort)
|
||||||
temperature,timeinc,ielem,1_pInt,&
|
temperature,timeinc,ielem,1_pInt,&
|
||||||
cstress,dsde, pstress, dPdF)
|
cstress,dsde, pstress, dPdF)
|
||||||
CPFEM_mode = 2_pInt
|
CPFEM_mode = 2_pInt
|
||||||
pstress_field(i,j,k,:,:) = pstress
|
pstress_field(i,j,k,:,:) = pstress
|
||||||
cstress_field(i,j,k,:,:) = math_mandel6to33(cstress)
|
cstress_field(i,j,k,:,:) = math_mandel6to33(cstress)
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
|
c066 = c066 * wgt
|
||||||
|
c0 = math_mandel66to3333(c066)
|
||||||
|
|
||||||
|
|
||||||
do m = 1,3; do n = 1,3
|
do m = 1,3; do n = 1,3
|
||||||
pstress_av(m,n) = sum(pstress_field(:,:,:,m,n)) * wgt
|
pstress_av(m,n) = sum(pstress_field(:,:,:,m,n)) * wgt
|
||||||
|
|
@ -467,9 +470,10 @@ program mpie_spectral
|
||||||
call dfftw_execute_dft_r2c(plan_fft(1,m,n), pstress_field(:,:,:,m,n),workfft(:,:,:,m,n))
|
call dfftw_execute_dft_r2c(plan_fft(1,m,n), pstress_field(:,:,:,m,n),workfft(:,:,:,m,n))
|
||||||
if(n==3) sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:)))) ! L infinity Norm of stress tensor
|
if(n==3) sigma0 = max(sigma0, sum(abs(workfft(1,1,1,m,:)))) ! L infinity Norm of stress tensor
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
|
err_div = (maxval(abs(math_mul33x3_complex(workfft(resolution(1)/2+1,resolution(2)/2+1,resolution(3)/2+1,:,:),&
|
||||||
|
xi(resolution(1)/2+1,resolution(2)/2+1,resolution(3)/2+1,:))))) ! L infinity Norm of div(stress)
|
||||||
|
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)/2+1
|
||||||
err_div = err_div + (maxval(abs(math_mul33x3_complex(workfft(i,j,k,:,:),xi(i,j,k,:))))) ! L infinity Norm of div(stress)
|
|
||||||
temp33_Complex = 0.0_pReal
|
temp33_Complex = 0.0_pReal
|
||||||
do m = 1,3; do n = 1,3
|
do m = 1,3; do n = 1,3
|
||||||
temp33_Complex(m,n) = sum(gamma_hat(i,j,k,m,n,:,:) * workfft(i,j,k,:,:))
|
temp33_Complex(m,n) = sum(gamma_hat(i,j,k,m,n,:,:) * workfft(i,j,k,:,:))
|
||||||
|
|
@ -477,7 +481,9 @@ program mpie_spectral
|
||||||
workfft(i,j,k,:,:) = temp33_Complex(:,:)
|
workfft(i,j,k,:,:) = temp33_Complex(:,:)
|
||||||
enddo; enddo; enddo
|
enddo; enddo; enddo
|
||||||
workfft(1,1,1,:,:) = defgrad_av - math_I3
|
workfft(1,1,1,:,:) = defgrad_av - math_I3
|
||||||
err_div = err_div/real((prodnn/resolution(1)*(resolution(1)/2+1)), pReal)/sigma0 !weighting of error
|
|
||||||
|
! err_div = err_div/real((prodnn/resolution(1)*(resolution(1)/2+1)), pReal)/sigma0 !weighting of error
|
||||||
|
err_div = err_div/sigma0 !weighting of error
|
||||||
|
|
||||||
do m = 1,3; do n = 1,3
|
do m = 1,3; do n = 1,3
|
||||||
call dfftw_execute_dft_c2r(plan_fft(2,m,n), workfft(:,:,:,m,n),ddefgrad(:,:,:))
|
call dfftw_execute_dft_c2r(plan_fft(2,m,n), workfft(:,:,:,m,n),ddefgrad(:,:,:))
|
||||||
|
|
@ -495,8 +501,8 @@ program mpie_spectral
|
||||||
print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
|
print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
|
||||||
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
|
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
|
||||||
print '(2(a,E8.2))', ' error deformation gradient ',err_defgrad,' Tol. = ', err_defgrad_tol
|
print '(2(a,E8.2))', ' error deformation gradient ',err_defgrad,' Tol. = ', err_defgrad_tol
|
||||||
|
|
||||||
if(err_stress > err_stress_tol .or. err_defgrad > err_defgrad_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
if((err_stress > err_stress_tol .or. err_defgrad > err_defgrad_tol) .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
||||||
calcmode = 0
|
calcmode = 0
|
||||||
defgradAimCorr = 0.0_pReal
|
defgradAimCorr = 0.0_pReal
|
||||||
damper = damper * 0.9_pReal
|
damper = damper * 0.9_pReal
|
||||||
|
|
@ -504,88 +510,19 @@ program mpie_spectral
|
||||||
end select
|
end select
|
||||||
enddo ! end looping when convergency is achieved
|
enddo ! end looping when convergency is achieved
|
||||||
|
|
||||||
do i=1, prodnn !write to output file
|
write(538) materialpoint_results(:,1,:) !write to output file
|
||||||
write(538,*) materialpoint_results(:,1,i)
|
|
||||||
enddo
|
|
||||||
|
|
||||||
write(539,'(E12.6,a,E12.6)'),log(defgrad_av(3,3)),' ', cstress_av(3,3)
|
print '(a,x,f12.7)' , ' Determinant of Deformation Aim:', math_det3x3(defgradAim)
|
||||||
print '(a,x,f12.7)' ,' Determinant of Deformation Aim:', math_det3x3(defgradAim)
|
|
||||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',defgradAim(1:3,:)
|
print '(a,/,3(3(f12.7,x)/))', ' Deformation Aim: ',defgradAim(1:3,:)
|
||||||
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
||||||
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
||||||
print '(A)', '************************************************************'
|
print '(A)', '************************************************************'
|
||||||
|
|
||||||
! Postprocessing (gsmh output)
|
|
||||||
|
|
||||||
temp33_Real(1,:) = 0.0_pReal; temp33_Real(1,3) = -(real(resolution(3))/meshdimension(3)) ! start just below origin
|
|
||||||
|
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
if((j==1).and.(i==1)) then
|
|
||||||
temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
|
||||||
(/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/))
|
|
||||||
temp33_Real(2,:) = temp33_Real(1,:)
|
|
||||||
temp33_Real(3,:) = temp33_Real(1,:)
|
|
||||||
displacement(i,j,k,:) = temp33_Real(1,:)
|
|
||||||
else
|
|
||||||
if(i==1) then
|
|
||||||
temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
|
||||||
(/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/))
|
|
||||||
temp33_Real(3,:) = temp33_Real(2,:)
|
|
||||||
displacement(i,j,k,:) = temp33_Real(2,:)
|
|
||||||
else
|
|
||||||
temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,k,:,:),&
|
|
||||||
(/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/))
|
|
||||||
displacement(i,j,k,:) = temp33_Real(3,:)
|
|
||||||
endif
|
|
||||||
endif
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
write(nrloadcase, *) loadcase; write(nriter, *) iter; write(nrstep, *) steps
|
|
||||||
open(589,file = 'stress' //trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
|
||||||
open(588,file = 'disgrad'//trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
|
||||||
write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
|
||||||
write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
|
||||||
|
|
||||||
ielem = 0_pInt
|
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
ielem = ielem + 1
|
|
||||||
write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:) !for deformed configuration
|
|
||||||
write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,k,:)
|
|
||||||
! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
|
|
||||||
! write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
|
||||||
write(588, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
|
||||||
|
|
||||||
do i = 1, prodnn
|
|
||||||
write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
|
||||||
write(588, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
|
||||||
enddo
|
|
||||||
|
|
||||||
write(589, '(A)'), '$EndElements'
|
|
||||||
write(588, '(A)'), '$EndElements'
|
|
||||||
write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrloadcase))//'-'//&
|
|
||||||
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
|
||||||
write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrloadcase))//'-'//&
|
|
||||||
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
|
||||||
ielem = 0_pInt
|
|
||||||
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
|
||||||
ielem = ielem + 1
|
|
||||||
write(589, '(i10, 9(tr2, E14.8))'), ielem, cstress_field(i,j,k,:,:)
|
|
||||||
write(588, '(i10, 9(tr2, E14.8))'), ielem, defgrad(i,j,k,:,:) - math_I3
|
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
write(589, *), '$EndNodeData'
|
|
||||||
write(588, *), '$EndNodeData'
|
|
||||||
close(589); close(588)
|
|
||||||
enddo ! end looping over steps in current loadcase
|
enddo ! end looping over steps in current loadcase
|
||||||
enddo ! end looping over loadcases
|
enddo ! end looping over loadcases
|
||||||
close(539); close(538)
|
close(538)
|
||||||
|
do i=1,2; do m = 1,3; do n = 1,3
|
||||||
do i=1,2; do m = 1,3; do n = 1,3
|
call dfftw_destroy_plan(plan_fft(i,m,n))
|
||||||
call dfftw_destroy_plan(plan_fft(i,m,n))
|
enddo; enddo; enddo
|
||||||
enddo; enddo; enddo
|
|
||||||
|
|
||||||
end program mpie_spectral
|
end program mpie_spectral
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,607 @@
|
||||||
|
!* $Id: mpie_spectral2d.f90 665 2010-10-13 16:04:44Z MPIE\m.diehl $
|
||||||
|
!********************************************************************
|
||||||
|
! Material subroutine for BVP solution using spectral method
|
||||||
|
! Version for 2D Problems, suitable for testing and implementation of new features
|
||||||
|
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||||
|
! Not working by now due to changes on other routines
|
||||||
|
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||||
|
! written by P. Eisenlohr,
|
||||||
|
! F. Roters,
|
||||||
|
! L. Hantcherli,
|
||||||
|
! W.A. Counts
|
||||||
|
! D.D. Tjahjanto
|
||||||
|
! C. Kords
|
||||||
|
! M. Diehl
|
||||||
|
! R. Lebensohn
|
||||||
|
!
|
||||||
|
! MPI fuer Eisenforschung, Duesseldorf
|
||||||
|
!
|
||||||
|
!********************************************************************
|
||||||
|
! Usage:
|
||||||
|
! - start program with mpie_spectral PathToMeshFile/NameOfMesh.mesh
|
||||||
|
! PathToLoadFile/NameOfLoadFile.load
|
||||||
|
! - PathToLoadFile will be the working directory
|
||||||
|
! - make sure the file "material.config" exists in the working
|
||||||
|
! directory
|
||||||
|
!********************************************************************
|
||||||
|
program mpie_spectral
|
||||||
|
!********************************************************************
|
||||||
|
|
||||||
|
use mpie_interface
|
||||||
|
use prec, only: pInt, pReal
|
||||||
|
use IO
|
||||||
|
use math
|
||||||
|
use CPFEM, only: CPFEM_general
|
||||||
|
use numerics, only: relevantStrain, rTol_crystalliteStress
|
||||||
|
|
||||||
|
implicit none
|
||||||
|
include 'fftw3.f' !header file for fftw3 (declaring variables). Library file is also needed
|
||||||
|
|
||||||
|
! variables to read from loadcase and mesh file
|
||||||
|
real(pReal), dimension(9) :: valuevector ! stores information temporarily from loadcase file
|
||||||
|
integer(pInt), parameter :: maxNchunksInput = 24 ! 4 identifiers, 18 values for the matrices and 2 scalars
|
||||||
|
integer(pInt), dimension (1+maxNchunksInput*2) :: posInput
|
||||||
|
integer(pInt), parameter :: maxNchunksMesh = 7 ! 4 identifiers, 3 values
|
||||||
|
integer(pInt), dimension (1+2*maxNchunksMesh) :: posMesh
|
||||||
|
integer(pInt) unit, N_l, N_s, N_t, N_n ! numbers of identifiers
|
||||||
|
character(len=1024) path, line
|
||||||
|
logical gotResolution,gotDimension,gotHomogenization
|
||||||
|
logical, dimension(9) :: bc_maskvector
|
||||||
|
|
||||||
|
! variables storing information from loadcase file
|
||||||
|
real(pReal) timeinc
|
||||||
|
real(pReal), dimension (:,:,:), allocatable :: bc_velocityGrad, &
|
||||||
|
bc_stress ! velocity gradient and stress BC
|
||||||
|
real(pReal), dimension(:), allocatable :: bc_timeIncrement ! length of increment
|
||||||
|
integer(pInt) N_Loadcases, steps
|
||||||
|
integer(pInt), dimension(:), allocatable :: bc_steps ! number of steps
|
||||||
|
logical, dimension(:,:,:,:), allocatable :: bc_mask ! mask of boundary conditions
|
||||||
|
|
||||||
|
! variables storing information from mesh file
|
||||||
|
real(pReal) wgt
|
||||||
|
real(pReal), dimension(3) :: meshdimension
|
||||||
|
integer(pInt) homog, prodnn
|
||||||
|
integer(pInt), dimension(3) :: resolution
|
||||||
|
|
||||||
|
! stress etc.
|
||||||
|
real(pReal), dimension(3,3) :: ones, zeroes, temp33_Real, damper,&
|
||||||
|
pstress, pstress_av, cstress_av, defgrad_av,&
|
||||||
|
defgradAim, defgradAimOld, defgradAimCorr, defgradAimCorrPrev,&
|
||||||
|
mask_stress, mask_defgrad
|
||||||
|
real(pReal), dimension(3,3,3,3) :: dPdF, c0, s0
|
||||||
|
real(pReal), dimension(6) :: cstress ! cauchy stress in Mandel notation
|
||||||
|
real(pReal), dimension(6,6) :: dsde, c066, s066
|
||||||
|
real(pReal), dimension(:,:,:,:), allocatable :: defgradold, cstress_field, defgrad
|
||||||
|
complex(pReal), dimension(:,:,:,:), allocatable :: pstress_field, tau
|
||||||
|
complex(pReal), dimension(:,:), allocatable :: ddefgrad
|
||||||
|
|
||||||
|
! variables storing information for spectral method
|
||||||
|
complex(pReal), dimension(:,:,:,:), allocatable :: workfft
|
||||||
|
complex(pReal), dimension(3,3) :: temp33_Complex
|
||||||
|
real(pReal), dimension(3,3) :: xinormdyad
|
||||||
|
real(pReal), dimension(:,:,:,:,:,:), allocatable :: gamma_hat
|
||||||
|
real(pReal), dimension(:,:,:), allocatable :: xi
|
||||||
|
integer(pInt), dimension(2) :: k_s
|
||||||
|
integer*8, dimension(3,3,3) :: plan_fft
|
||||||
|
|
||||||
|
! convergence etc.
|
||||||
|
real(pReal) err_div, err_stress, err_defgrad
|
||||||
|
real(pReal) err_div_tol, err_stress_tol, err_stress_tolrel, sigma0
|
||||||
|
integer(pInt) itmax, ierr
|
||||||
|
logical errmatinv
|
||||||
|
|
||||||
|
! loop variables etc.
|
||||||
|
real(pReal) guessmode ! flip-flop to guess defgrad fluctuation field evolution
|
||||||
|
integer(pInt) i, j, k, l, m, n, p
|
||||||
|
integer(pInt) loadcase, ielem, iter, calcmode, CPFEM_mode
|
||||||
|
|
||||||
|
real(pReal) temperature ! not used, but needed for call to CPFEM_general
|
||||||
|
|
||||||
|
!gmsh output
|
||||||
|
character(len=1024) :: nriter
|
||||||
|
character(len=1024) :: nrstep
|
||||||
|
character(len=1024) :: nrloadcase
|
||||||
|
real(pReal), dimension(:,:,:), allocatable :: displacement
|
||||||
|
!gmsh output
|
||||||
|
|
||||||
|
!Initializing
|
||||||
|
bc_maskvector = ''
|
||||||
|
unit = 234_pInt
|
||||||
|
|
||||||
|
ones = 1.0_pReal
|
||||||
|
zeroes = 0.0_pReal
|
||||||
|
|
||||||
|
N_l = 0_pInt
|
||||||
|
N_s = 0_pInt
|
||||||
|
N_t = 0_pInt
|
||||||
|
N_n = 0_pInt
|
||||||
|
|
||||||
|
resolution = 1_pInt; meshdimension = 0.0_pReal
|
||||||
|
|
||||||
|
err_div_tol = 1.0e-4
|
||||||
|
itmax = 250_pInt
|
||||||
|
err_stress_tolrel=0.01
|
||||||
|
|
||||||
|
temperature = 300.0_pReal
|
||||||
|
|
||||||
|
gotResolution =.false.; gotDimension =.false.; gotHomogenization = .false.
|
||||||
|
|
||||||
|
if (IargC() /= 2) call IO_error(102) ! check for correct number of given arguments
|
||||||
|
|
||||||
|
! Reading the loadcase file and assign variables
|
||||||
|
path = getLoadcaseName()
|
||||||
|
print*,'Loadcase: ',trim(path)
|
||||||
|
print*,'Workingdir: ',trim(getSolverWorkingDirectoryName())
|
||||||
|
|
||||||
|
if (.not. IO_open_file(unit,path)) call IO_error(45,ext_msg = path)
|
||||||
|
|
||||||
|
rewind(unit)
|
||||||
|
do
|
||||||
|
read(unit,'(a1024)',END = 101) line
|
||||||
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||||
|
posInput = IO_stringPos(line,maxNchunksInput)
|
||||||
|
do i = 1, maxNchunksInput, 1
|
||||||
|
select case (IO_lc(IO_stringValue(line,posInput,i)))
|
||||||
|
case('l','velocitygrad')
|
||||||
|
N_l = N_l+1
|
||||||
|
case('s','stress')
|
||||||
|
N_s = N_s+1
|
||||||
|
case('t','time','delta')
|
||||||
|
N_t = N_t+1
|
||||||
|
case('n','incs','increments','steps')
|
||||||
|
N_n = N_n+1
|
||||||
|
end select
|
||||||
|
enddo ! count all identifiers to allocate memory and do sanity check
|
||||||
|
if ((N_l /= N_s).or.(N_s /= N_t).or.(N_t /= N_n)) & ! sanity check
|
||||||
|
call IO_error(46,ext_msg = path) !error message for incomplete input file
|
||||||
|
|
||||||
|
enddo
|
||||||
|
|
||||||
|
! allocate memory depending on lines in input file
|
||||||
|
101 N_Loadcases = N_l
|
||||||
|
|
||||||
|
allocate (bc_velocityGrad(3,3,N_Loadcases)); bc_velocityGrad = 0.0_pReal
|
||||||
|
allocate (bc_stress(3,3,N_Loadcases)); bc_stress = 0.0_pReal
|
||||||
|
allocate (bc_mask(3,3,2,N_Loadcases)); bc_mask = .false.
|
||||||
|
allocate (bc_timeIncrement(N_Loadcases)); bc_timeIncrement = 0.0_pReal
|
||||||
|
allocate (bc_steps(N_Loadcases)); bc_steps = 0_pInt
|
||||||
|
|
||||||
|
rewind(unit)
|
||||||
|
i = 0_pInt
|
||||||
|
do
|
||||||
|
read(unit,'(a1024)',END = 200) line
|
||||||
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||||
|
i = i + 1
|
||||||
|
posInput = IO_stringPos(line,maxNchunksInput)
|
||||||
|
do j = 1,maxNchunksInput,2
|
||||||
|
select case (IO_lc(IO_stringValue(line,posInput,j)))
|
||||||
|
case('l','velocitygrad')
|
||||||
|
valuevector = 0.0_pReal
|
||||||
|
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#'
|
||||||
|
do k = 1,9
|
||||||
|
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the velocity gradient matrix
|
||||||
|
enddo
|
||||||
|
bc_mask(:,:,1,i) = reshape(bc_maskvector,(/3,3/))
|
||||||
|
bc_velocityGrad(:,:,i) = reshape(valuevector,(/3,3/))
|
||||||
|
case('s','stress')
|
||||||
|
valuevector = 0.0_pReal
|
||||||
|
forall (k = 1:9) bc_maskvector(k) = IO_stringValue(line,posInput,j+k) /= '#'
|
||||||
|
do k = 1,9
|
||||||
|
if (bc_maskvector(k)) valuevector(k) = IO_floatValue(line,posInput,j+k) ! assign values for the bc_stress matrix
|
||||||
|
enddo
|
||||||
|
bc_mask(:,:,2,i) = reshape(bc_maskvector,(/3,3/))
|
||||||
|
bc_stress(:,:,i) = reshape(valuevector,(/3,3/))
|
||||||
|
case('t','time','delta') ! increment time
|
||||||
|
bc_timeIncrement(i) = IO_floatValue(line,posInput,j+1)
|
||||||
|
case('n','incs','increments','steps') ! bc_steps
|
||||||
|
bc_steps(i) = IO_intValue(line,posInput,j+1)
|
||||||
|
end select
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
200 close(unit)
|
||||||
|
|
||||||
|
do i = 1, N_Loadcases
|
||||||
|
if (any(bc_mask(:,:,1,i) == bc_mask(:,:,2,i))) call IO_error(47,i) ! bc_mask consistency
|
||||||
|
print '(a,/,3(3(f12.6,x)/))','L',bc_velocityGrad(:,:,i)
|
||||||
|
print '(a,/,3(3(f12.6,x)/))','bc_stress',bc_stress(:,:,i)
|
||||||
|
print '(a,/,3(3(l,x)/))','bc_mask for velocitygrad',bc_mask(:,:,1,i)
|
||||||
|
print '(a,/,3(3(l,x)/))','bc_mask for stress',bc_mask(:,:,2,i)
|
||||||
|
print *,'time',bc_timeIncrement(i)
|
||||||
|
print *,'incs',bc_steps(i)
|
||||||
|
print *, ''
|
||||||
|
enddo
|
||||||
|
|
||||||
|
!read header of mesh file to get the information needed before the complete mesh file is intepretated by mesh.f90
|
||||||
|
path = getSolverJobName()
|
||||||
|
print*,'JobName: ',trim(path)
|
||||||
|
if (.not. IO_open_file(unit,trim(path)//InputFileExtension)) call IO_error(101,ext_msg = path)
|
||||||
|
|
||||||
|
rewind(unit)
|
||||||
|
do
|
||||||
|
read(unit,'(a1024)',END = 100) line
|
||||||
|
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||||
|
posMesh = IO_stringPos(line,maxNchunksMesh)
|
||||||
|
|
||||||
|
select case ( IO_lc(IO_StringValue(line,posMesh,1)) )
|
||||||
|
case ('dimension')
|
||||||
|
gotDimension = .true.
|
||||||
|
do i = 2,6,2
|
||||||
|
select case (IO_lc(IO_stringValue(line,posMesh,i)))
|
||||||
|
case('x')
|
||||||
|
meshdimension(1) = IO_floatValue(line,posMesh,i+1)
|
||||||
|
case('y')
|
||||||
|
meshdimension(2) = IO_floatValue(line,posMesh,i+1)
|
||||||
|
case('z')
|
||||||
|
meshdimension(3) = IO_floatValue(line,posMesh,i+1)
|
||||||
|
end select
|
||||||
|
enddo
|
||||||
|
case ('homogenization')
|
||||||
|
gotHomogenization = .true.
|
||||||
|
homog = IO_intValue(line,posMesh,2)
|
||||||
|
case ('resolution')
|
||||||
|
gotResolution = .true.
|
||||||
|
do i = 2,6,2
|
||||||
|
select case (IO_lc(IO_stringValue(line,posMesh,i)))
|
||||||
|
case('a')
|
||||||
|
resolution(1) = IO_intValue(line,posMesh,i+1)
|
||||||
|
case('b')
|
||||||
|
resolution(2) = IO_intValue(line,posMesh,i+1)
|
||||||
|
case('c')
|
||||||
|
resolution(3) = IO_intValue(line,posMesh,i+1)
|
||||||
|
end select
|
||||||
|
enddo
|
||||||
|
end select
|
||||||
|
if (gotDimension .and. gotHomogenization .and. gotResolution) exit
|
||||||
|
if (resolution(3) /=1) exit
|
||||||
|
enddo
|
||||||
|
100 close(unit)
|
||||||
|
|
||||||
|
print '(a,/,i4,i4,i4)','resolution a b c', resolution
|
||||||
|
print '(a,/,f6.1,f6.1,f6.1)','dimension x y z', meshdimension
|
||||||
|
print *,'homogenization',homog
|
||||||
|
print *, ''
|
||||||
|
|
||||||
|
allocate (workfft(resolution(1),resolution(2),3,3)); workfft = 0.0_pReal
|
||||||
|
allocate (gamma_hat(resolution(1),resolution(2),3,3,3,3)); gamma_hat = 0.0_pReal
|
||||||
|
allocate (xi(resolution(1),resolution(2),3)); xi = 0.0_pReal
|
||||||
|
allocate (pstress_field(resolution(1),resolution(2),3,3)); pstress_field = 0.0_pReal
|
||||||
|
allocate (cstress_field(resolution(1),resolution(2),3,3)); cstress_field = 0.0_pReal
|
||||||
|
allocate (tau(resolution(1),resolution(2),3,3)); tau = 0.0_pReal
|
||||||
|
allocate (displacement(resolution(1),resolution(2),3)); displacement = 0.0_pReal
|
||||||
|
allocate (defgrad(resolution(1),resolution(2),3,3)); defgrad = 0.0_pReal
|
||||||
|
allocate (defgradold(resolution(1),resolution(2),3,3)); defgradold = 0.0_pReal
|
||||||
|
allocate (ddefgrad(resolution(1),resolution(2))); ddefgrad = 0.0_pReal
|
||||||
|
|
||||||
|
! Initialization of fftw (see manual on fftw.org for more details)
|
||||||
|
call dfftw_init_threads(ierr)
|
||||||
|
call dfftw_plan_with_nthreads(4)
|
||||||
|
do m = 1,3; do n = 1,3
|
||||||
|
call dfftw_plan_dft_2d(plan_fft(1,m,n),resolution(1),resolution(2),&
|
||||||
|
cstress_field(:,:,m,n), workfft(:,:,m,n), FFTW_PATIENT, FFTW_FORWARD) !only for calculation of div (P)
|
||||||
|
call dfftw_plan_dft_2d(plan_fft(2,m,n),resolution(1),resolution(2),&
|
||||||
|
tau(:,:,m,n), workfft(:,:,m,n), FFTW_PATIENT, FFTW_FORWARD)
|
||||||
|
call dfftw_plan_dft_2d(plan_fft(3,m,n),resolution(1),resolution(2),&
|
||||||
|
workfft(:,:,m,n), ddefgrad(:,:), FFTW_PATIENT, FFTW_BACKWARD)
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
prodnn = resolution(1)*resolution(2)
|
||||||
|
wgt = 1_pReal/real(prodnn, pReal)
|
||||||
|
defgradAim = math_I3
|
||||||
|
defgradAimOld = math_I3
|
||||||
|
defgrad_av = math_I3
|
||||||
|
! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
|
||||||
|
ielem = 0_pInt
|
||||||
|
c066 = 0.0_pReal
|
||||||
|
do j = 1, resolution(3); do i = 1, resolution(2)
|
||||||
|
defgradold(i,j,:,:) = math_I3 !no deformation at the beginning
|
||||||
|
defgrad(i,j,:,:) = math_I3
|
||||||
|
ielem = ielem +1
|
||||||
|
call CPFEM_general(2,math_I3,math_I3,temperature,0.0_pReal,ielem,1_pInt,cstress,dsde,pstress,dPdF)
|
||||||
|
c066 = c066 + dsde
|
||||||
|
enddo; enddo
|
||||||
|
c066 = c066 * wgt
|
||||||
|
c0 = math_mandel66to3333(c066)
|
||||||
|
call math_invert(6, c066, s066,i, errmatinv)
|
||||||
|
s0 = math_mandel66to3333(s066)
|
||||||
|
|
||||||
|
!calculation of xinormdyad (to calculate gamma_hat) and xi (waves, for proof of equilibrium)
|
||||||
|
|
||||||
|
do j = 1, resolution(2)
|
||||||
|
k_s(2) = j-1
|
||||||
|
if(j > resolution(2)/2+1) k_s(2) = k_s(2)-resolution(2)
|
||||||
|
do i = 1, resolution(1)
|
||||||
|
k_s(1) = i-1
|
||||||
|
if(i > resolution(1)/2+1) k_s(1) = k_s(1)-resolution(1)
|
||||||
|
xi(i,j,3) = 0.0_pReal
|
||||||
|
xi(i,j,2) = real(k_s(2), pReal)/meshdimension(2)
|
||||||
|
xi(i,j,1) = real(k_s(1), pReal)/meshdimension(1)
|
||||||
|
if (any(xi(i,j,:) /= 0.0_pReal)) then
|
||||||
|
do l = 1,2; do m = 1,2
|
||||||
|
xinormdyad(l,m) = xi(i,j, l)*xi(i,j, m)/sum(xi(i,j,:)**2)
|
||||||
|
enddo; enddo
|
||||||
|
else
|
||||||
|
xinormdyad = 0.0_pReal
|
||||||
|
endif
|
||||||
|
temp33_Real = math_mul3333xx33(c0, xinormdyad)
|
||||||
|
temp33_Real = math_inv3x3(temp33_Real)
|
||||||
|
do l=1,3; do m=1,3; do n=1,3; do p=1,3
|
||||||
|
gamma_hat(i,j, l,m,n,p) = - temp33_Real(l,n) * xinormdyad(m,p)
|
||||||
|
! gamma_hat(i,j,k, l,m,n,p) = - 0.5_pReal * temp33_Real(l,n) * xinormdyad(m,p)& ! symmetrization????????
|
||||||
|
! - 0.5_pReal * temp33_Real(m,n) * xinormdyad(l,p)
|
||||||
|
enddo; enddo; enddo; enddo
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
open(539,file='stress-strain.out')
|
||||||
|
! Initialization done
|
||||||
|
|
||||||
|
!*************************************************************
|
||||||
|
!Loop over loadcases defined in the loadcase file
|
||||||
|
do loadcase = 1, N_Loadcases
|
||||||
|
!*************************************************************
|
||||||
|
|
||||||
|
timeinc = bc_timeIncrement(loadcase)/bc_steps(loadcase)
|
||||||
|
guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first step
|
||||||
|
|
||||||
|
mask_defgrad = merge(ones,zeroes,bc_mask(:,:,1,loadcase))
|
||||||
|
mask_stress = merge(ones,zeroes,bc_mask(:,:,2,loadcase))
|
||||||
|
damper = ones/10
|
||||||
|
!*************************************************************
|
||||||
|
! loop oper steps defined in input file for current loadcase
|
||||||
|
do steps = 1, bc_steps(loadcase)
|
||||||
|
!*************************************************************
|
||||||
|
temp33_Real = defgradAim
|
||||||
|
defgradAim = defgradAim & ! update macroscopic displacement gradient (defgrad BC)
|
||||||
|
+ guessmode * mask_stress * (defgradAim - defgradAimOld) &
|
||||||
|
+ math_mul33x33(bc_velocityGrad(:,:,loadcase), defgradAim)*timeinc
|
||||||
|
defgradAimOld = temp33_Real
|
||||||
|
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
temp33_Real = defgrad(i,j,:,:)
|
||||||
|
defgrad(i,j,:,:) = defgrad(i,j,:,:)& ! old fluctuations as guess for new step, no fluctuations for new loadcase
|
||||||
|
+ guessmode * (defgrad(i,j,:,:) - defgradold(i,j,:,:))&
|
||||||
|
+ (1.0_pReal-guessmode) * math_mul33x33(bc_velocityGrad(:,:,loadcase),defgradold(i,j,:,:))*timeinc
|
||||||
|
defgradold(i,j,:,:) = temp33_Real
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
|
||||||
|
calcmode = 0_pInt ! start calculation of BC fullfillment
|
||||||
|
CPFEM_mode = 1_pInt ! winding forward
|
||||||
|
iter = 0_pInt
|
||||||
|
err_div= 2_pReal * err_div_tol ! go into loop
|
||||||
|
defgradAimCorr = 0.0_pReal ! reset damping calculation
|
||||||
|
damper = damper * 0.9_pReal
|
||||||
|
|
||||||
|
!*************************************************************
|
||||||
|
! convergence loop
|
||||||
|
do while( iter <= itmax .and. &
|
||||||
|
(err_div > err_div_tol .or. &
|
||||||
|
err_stress > err_stress_tol))
|
||||||
|
iter = iter + 1
|
||||||
|
print '(A,I5.5,tr2,A,I5.5)', ' Step = ',steps,'Iteration = ',iter
|
||||||
|
!*************************************************************
|
||||||
|
|
||||||
|
! adjust defgrad to fulfill BCs
|
||||||
|
select case (calcmode)
|
||||||
|
case (0)
|
||||||
|
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
||||||
|
ielem = 0_pInt
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
ielem = ielem + 1
|
||||||
|
call CPFEM_general(3, defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
||||||
|
temperature,timeinc,ielem,1_pInt,&
|
||||||
|
cstress,dsde, pstress, dPdF)
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
ielem = 0_pInt
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
ielem = ielem + 1
|
||||||
|
call CPFEM_general(CPFEM_mode,& ! first element in first iteration retains CPFEM_mode 1,
|
||||||
|
defgradold(i,j,:,:), defgrad(i,j,:,:),& ! others get 2 (saves winding forward effort)
|
||||||
|
temperature,timeinc,ielem,1_pInt,&
|
||||||
|
cstress,dsde, pstress, dPdF)
|
||||||
|
CPFEM_mode = 2_pInt
|
||||||
|
pstress_field(i,j,:,:) = pstress
|
||||||
|
cstress_field(i,j,:,:) = math_mandel6to33(cstress)
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
do m = 1,3; do n = 1,3
|
||||||
|
pstress_av(m,n) = sum(pstress_field(:,:,m,n)) * wgt
|
||||||
|
cstress_av(m,n) = sum(cstress_field(:,:,m,n)) * wgt
|
||||||
|
defgrad_av(m,n) = sum(defgrad(:,:,m,n)) * wgt
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
err_stress = maxval(abs(mask_stress * (cstress_av - bc_stress(:,:,loadcase))))
|
||||||
|
err_stress_tol = maxval(abs(cstress_av))*err_stress_tolrel
|
||||||
|
|
||||||
|
print*, 'Correcting deformation gradient to fullfill BCs'
|
||||||
|
defgradAimCorrPrev = defgradAimCorr
|
||||||
|
defgradAimCorr = -mask_stress * math_mul3333xx33(s0, (mask_stress*(cstress_av - bc_stress(:,:,loadcase))))
|
||||||
|
|
||||||
|
do m=1,3; do n =1,3 ! calculate damper (correction is far to strong)
|
||||||
|
if ( sign(1.0_pReal,defgradAimCorr(m,n))/=sign(1.0_pReal,defgradAimCorrPrev(m,n))) then
|
||||||
|
damper(m,n) = max(0.01_pReal,damper(m,n)*0.8)
|
||||||
|
else
|
||||||
|
damper(m,n) = min(1.0_pReal,damper(m,n) *1.2)
|
||||||
|
endif
|
||||||
|
enddo; enddo
|
||||||
|
defgradAimCorr = mask_Stress*(damper * defgradAimCorr)
|
||||||
|
defgradAim = defgradAim + defgradAimCorr
|
||||||
|
|
||||||
|
do m = 1,3; do n = 1,3
|
||||||
|
defgrad(:,:,m,n) = defgrad(:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
|
||||||
|
enddo; enddo
|
||||||
|
err_div = 2 * err_div_tol
|
||||||
|
err_defgrad = maxval(abs(mask_defgrad * (defgrad_av - defgradAim)))
|
||||||
|
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
||||||
|
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
||||||
|
print '(a,E8.2)', ' error defgrad ',err_defgrad
|
||||||
|
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol*0.8
|
||||||
|
if(err_stress < err_stress_tol*0.8) then
|
||||||
|
calcmode = 1
|
||||||
|
endif
|
||||||
|
|
||||||
|
! Using the spectral method to calculate the change of deformation gradient, check divergence of stress field in fourier space
|
||||||
|
case (1)
|
||||||
|
print *, 'Update Stress Field (constitutive evaluation P(F))'
|
||||||
|
ielem = 0_pInt
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
ielem = ielem + 1
|
||||||
|
call CPFEM_general(3, defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
||||||
|
temperature,timeinc,ielem,1_pInt,&
|
||||||
|
cstress,dsde, pstress, dPdF)
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
ielem = 0_pInt
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
ielem = ielem + 1
|
||||||
|
call CPFEM_general(2,&
|
||||||
|
defgradold(i,j,:,:), defgrad(i,j,:,:),&
|
||||||
|
temperature,timeinc,ielem,1_pInt,&
|
||||||
|
cstress,dsde, pstress, dPdF)
|
||||||
|
pstress_field(i,j,:,:) = pstress
|
||||||
|
cstress_field(i,j,:,:) = math_mandel6to33(cstress)
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
tau(i,j,:,:) = cstress_field(i,j,:,:) - math_mul3333xx33(c0, defgrad(i,j,:,:)-math_I3)
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
print *, 'Calculating equilibrium using spectral method'
|
||||||
|
err_div = 0.0_pReal; sigma0 = 0.0_pReal
|
||||||
|
do m = 1,3; do n = 1,3
|
||||||
|
call dfftw_execute_dft(plan_fft(1,m,n), cstress_field(:,:,m,n),workfft(:,:,m,n))
|
||||||
|
if(n==3) sigma0 = max(sigma0, sum(abs(workfft(1,1,m,:)))) ! L infinity Norm of stress tensor
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
err_div = err_div + (maxval(abs(math_mul33x3_complex(workfft(i,j,:,:),xi(i,j,:))))) ! L infinity Norm of div(stress)
|
||||||
|
enddo; enddo
|
||||||
|
err_div = err_div/real(prodnn, pReal)/sigma0 !weighting of error
|
||||||
|
|
||||||
|
do m = 1,3; do n = 1,3
|
||||||
|
call dfftw_execute_dft(plan_fft(2,m,n), tau(:,:,m,n), workfft(:,:,m,n))
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
temp33_Complex = 0.0_pReal
|
||||||
|
do m = 1,3; do n = 1,3
|
||||||
|
temp33_Complex(m,n) = sum(gamma_hat(i,j,m,n,:,:) * workfft(i,j,:,:))
|
||||||
|
enddo; enddo
|
||||||
|
workfft(i,j,:,:) = temp33_Complex(:,:)
|
||||||
|
enddo; enddo
|
||||||
|
workfft(1,1,:,:) = zeroes!????
|
||||||
|
|
||||||
|
do m = 1,3; do n = 1,3
|
||||||
|
call dfftw_execute_dft(plan_fft(3,m,n), workfft(:,:,m,n),ddefgrad(:,:))
|
||||||
|
defgrad(:,:,m,n) = defgrad_av(m,n) + real(ddefgrad, pReal) * wgt
|
||||||
|
pstress_av(m,n) = sum(pstress_field(:,:,m,n))*wgt
|
||||||
|
cstress_av(m,n) = sum(cstress_field(:,:,m,n))*wgt
|
||||||
|
defgrad_av(m,n) = sum(defgrad(:,:,m,n))*wgt
|
||||||
|
defgrad(:,:,m,n) = defgrad(:,:,m,n) + (defgradAim(m,n) - defgrad_av(m,n)) !anticipated target minus current state
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
err_stress = maxval(abs(mask_stress * (cstress_av - bc_stress(:,:,loadcase))))
|
||||||
|
err_stress_tol = maxval(abs(cstress_av))*err_stress_tolrel !accecpt relativ error specified
|
||||||
|
|
||||||
|
print '(2(a,E8.2))', ' error divergence ',err_div,' Tol. = ', err_div_tol
|
||||||
|
print '(2(a,E8.2))', ' error stress ',err_stress,' Tol. = ', err_stress_tol
|
||||||
|
if(err_stress > err_stress_tol .and. err_div < err_div_tol) then ! change to calculation of BCs, reset damper etc.
|
||||||
|
calcmode = 0
|
||||||
|
defgradAimCorr = 0.0_pReal
|
||||||
|
damper = damper * 0.9_pReal
|
||||||
|
endif
|
||||||
|
end select
|
||||||
|
enddo ! end looping when convergency is achieved
|
||||||
|
|
||||||
|
write(539,'(E12.6,a,E12.6)'),defgrad_av(3,3)-1,' ', cstress_av(3,3)
|
||||||
|
print '(a,/,3(3(f12.7,x)/))', ' Deformation Gradient: ',defgrad_av(1:3,:)
|
||||||
|
print *, ''
|
||||||
|
print '(a,/,3(3(f10.4,x)/))', ' Cauchy Stress [MPa]: ',cstress_av(1:3,:)/1.e6
|
||||||
|
print '(A)', '************************************************************'
|
||||||
|
|
||||||
|
! Postprocessing (gsmh output)
|
||||||
|
|
||||||
|
temp33_Real(1,:) = 0.0_pReal; temp33_Real(1,3) = -(real(resolution(3))/meshdimension(3)) ! start just below origin
|
||||||
|
k=1
|
||||||
|
do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
if((j==1).and.(i==1)) then
|
||||||
|
temp33_Real(1,:) = temp33_Real(1,:) + math_mul33x3(defgrad(i,j,:,:),&
|
||||||
|
(/0.0_pReal,0.0_pReal,(real(resolution(3))/meshdimension(3))/))
|
||||||
|
temp33_Real(2,:) = temp33_Real(1,:)
|
||||||
|
temp33_Real(3,:) = temp33_Real(1,:)
|
||||||
|
displacement(i,j,:) = temp33_Real(1,:)
|
||||||
|
else
|
||||||
|
if(i==1) then
|
||||||
|
temp33_Real(2,:) = temp33_Real(2,:) + math_mul33x3(defgrad(i,j,:,:),&
|
||||||
|
(/0.0_pReal,(real(resolution(2))/meshdimension(2)),0.0_pReal/))
|
||||||
|
temp33_Real(3,:) = temp33_Real(2,:)
|
||||||
|
displacement(i,j,:) = temp33_Real(2,:)
|
||||||
|
else
|
||||||
|
temp33_Real(3,:) = temp33_Real(3,:) + math_mul33x3(defgrad(i,j,:,:),&
|
||||||
|
(/(real(resolution(1))/meshdimension(1)),0.0_pReal,0.0_pReal/))
|
||||||
|
displacement(i,j,:) = temp33_Real(3,:)
|
||||||
|
endif
|
||||||
|
endif
|
||||||
|
enddo; enddo
|
||||||
|
|
||||||
|
write(nrloadcase, *) loadcase; write(nriter, *) iter; write(nrstep, *) steps
|
||||||
|
open(589,file = 'stress' //trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
||||||
|
open(588,file = 'disgrad'//trim(adjustl(nrloadcase))//'-'//trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh')
|
||||||
|
write(589, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
||||||
|
write(588, '(4(A, /), I10)'), '$MeshFormat', '2.1 0 8', '$EndMeshFormat', '$Nodes', prodnn
|
||||||
|
|
||||||
|
ielem = 0_pInt
|
||||||
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
ielem = ielem + 1
|
||||||
|
write(589, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,:) !for deformed configuration
|
||||||
|
write(588, '(I10, 3(tr2, E12.6))'), ielem, displacement(i,j,:)
|
||||||
|
! write(589, '(4(I10,tr2))'), ielem, i-1,j-1,k-1 !for undeformed configuration
|
||||||
|
! write(588, '(4(I10,tr2))'), ielem, i-1,j-1,k-1
|
||||||
|
enddo; enddo; enddo
|
||||||
|
|
||||||
|
write(589, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
||||||
|
write(588, '(2(A, /), I10)'), '$EndNodes', '$Elements', prodnn
|
||||||
|
|
||||||
|
do i = 1, prodnn
|
||||||
|
write(589, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
||||||
|
write(588, '(I10, A, I10)'), i, ' 15 2 1 2', i
|
||||||
|
enddo
|
||||||
|
|
||||||
|
write(589, '(A)'), '$EndElements'
|
||||||
|
write(588, '(A)'), '$EndElements'
|
||||||
|
write(589, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('stress'//trim(adjustl(nrloadcase))//'-'//&
|
||||||
|
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
||||||
|
write(588, '(8(A, /), I10)'), '$NodeData', '1','"'//trim(adjustl('disgrad'//trim(adjustl(nrloadcase))//'-'//&
|
||||||
|
trim(adjustl(nrstep))//'-'//trim(adjustl(nriter))//'_cpfem.msh'))//'"','1','0.0', '3', '0', '9', prodnn
|
||||||
|
ielem = 0_pInt
|
||||||
|
do k = 1, resolution(3); do j = 1, resolution(2); do i = 1, resolution(1)
|
||||||
|
ielem = ielem + 1
|
||||||
|
write(589, '(i10, 9(tr2, E14.8))'), ielem, cstress_field(i,j,:,:)
|
||||||
|
write(588, '(i10, 9(tr2, E14.8))'), ielem, defgrad(i,j,:,:) - math_I3
|
||||||
|
enddo; enddo; enddo
|
||||||
|
|
||||||
|
write(589, *), '$EndNodeData'
|
||||||
|
write(588, *), '$EndNodeData'
|
||||||
|
close(589); close(588)
|
||||||
|
enddo ! end looping over steps in current loadcase
|
||||||
|
enddo ! end looping over loadcases
|
||||||
|
close(539)
|
||||||
|
|
||||||
|
do i=1,3; do m = 1,3; do n = 1,3
|
||||||
|
call dfftw_destroy_plan(plan_fft(i,m,n))
|
||||||
|
enddo; enddo; enddo
|
||||||
|
|
||||||
|
end program mpie_spectral
|
||||||
|
|
||||||
|
!********************************************************************
|
||||||
|
! quit subroutine to satisfy IO_error
|
||||||
|
!
|
||||||
|
!********************************************************************
|
||||||
|
subroutine quit(id)
|
||||||
|
use prec
|
||||||
|
implicit none
|
||||||
|
|
||||||
|
integer(pInt) id
|
||||||
|
|
||||||
|
stop
|
||||||
|
end subroutine
|
||||||
|
|
@ -4,7 +4,8 @@
|
||||||
MODULE mpie_interface
|
MODULE mpie_interface
|
||||||
use prec, only: pInt, pReal
|
use prec, only: pInt, pReal
|
||||||
character(len=64), parameter :: FEsolver = 'Spectral'
|
character(len=64), parameter :: FEsolver = 'Spectral'
|
||||||
character(len=5), parameter :: InputFileExtension = '.mesh'
|
character(len=5), parameter :: InputFileExtension = '.geom'
|
||||||
|
character(len=4), parameter :: LogFileExtension = '.log' !until now, we don't have a log file. But IO.f90 requires it
|
||||||
|
|
||||||
CONTAINS
|
CONTAINS
|
||||||
|
|
||||||
|
|
@ -49,7 +50,7 @@ function getSolverWorkingDirectoryName()
|
||||||
endfunction
|
endfunction
|
||||||
|
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
! basename of meshfile from command line arguments
|
! basename of geometry file from command line arguments
|
||||||
!
|
!
|
||||||
!********************************************************************
|
!********************************************************************
|
||||||
function getSolverJobName()
|
function getSolverJobName()
|
||||||
|
|
@ -69,7 +70,7 @@ function getSolverJobName()
|
||||||
posSep = scan(outName,pathSep,back=.true.)
|
posSep = scan(outName,pathSep,back=.true.)
|
||||||
|
|
||||||
if (posExt <= posSep) posExt = len_trim(outName)+1 ! no extension present
|
if (posExt <= posSep) posExt = len_trim(outName)+1 ! no extension present
|
||||||
getSolverJobName = outName(1:posExt-1) ! path to mesh file (excl. extension)
|
getSolverJobName = outName(1:posExt-1) ! path to geometry file (excl. extension)
|
||||||
|
|
||||||
if (scan(getSolverJobName,pathSep) /= 1) then ! relative path given as command line argument
|
if (scan(getSolverJobName,pathSep) /= 1) then ! relative path given as command line argument
|
||||||
call getcwd(cwd)
|
call getcwd(cwd)
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue