Merge branch 'MiscImprovements' of magit1.mpie.de:/damask/DAMASK into MiscImprovements
This commit is contained in:
Martin Diehl
commit
6ce4ce523a
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@ -6,7 +6,7 @@ cmake_minimum_required (VERSION 3.10.0 FATAL_ERROR)
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# Find PETSc from system environment
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set(PETSC_DIR $ENV{PETSC_DIR})
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if (PETSC_DIR STREQUAL "")
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message (FATAL_ERROR "PETSc location (PETSC_DIR) is not defined")
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||||
message (FATAL_ERROR "PETSc location (PETSC_DIR) is not defined")
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endif ()
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set (petsc_conf_variables "${PETSC_DIR}/lib/petsc/conf/variables")
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@ -118,7 +118,7 @@ endif ()
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list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
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if (CMAKE_BUILD_TYPE STREQUAL "")
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set (CMAKE_BUILD_TYPE "RELEASE")
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set (CMAKE_BUILD_TYPE "RELEASE")
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endif ()
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# Predefined sets for OPTIMIZATION/OPENMP based on BUILD_TYPE
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@ -165,13 +165,13 @@ add_definitions (-DDAMASKVERSION="${DAMASK_V}")
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add_definitions (-DPETSc)
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if (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
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include(Compiler-Intel)
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include (Compiler-Intel)
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elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
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include(Compiler-GNU)
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include (Compiler-GNU)
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elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "PGI")
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include(Compiler-PGI)
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include (Compiler-PGI)
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else ()
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message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized")
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message (FATAL_ERROR "Compiler type (CMAKE_Fortran_COMPILER_ID) not recognized")
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endif ()
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@ -179,8 +179,8 @@ set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${BUILDCMD_PRE} ${OPENMP_FLAGS} ${
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set (CMAKE_Fortran_LINK_EXECUTABLE "${BUILDCMD_PRE} ${PETSC_LINKER} ${OPENMP_FLAGS} ${OPTIMIZATION_FLAGS} ${LINKER_FLAGS}")
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if (CMAKE_BUILD_TYPE STREQUAL "DEBUG")
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set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}")
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set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}")
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set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${DEBUG_FLAGS}")
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set (CMAKE_Fortran_LINK_EXECUTABLE "${CMAKE_Fortran_LINK_EXECUTABLE} ${DEBUG_FLAGS}")
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endif ()
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set (CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE} "${CMAKE_Fortran_FLAGS_${CMAKE_BUILD_TYPE}} ${PETSC_INCLUDES} ${BUILDCMD_POST}")
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@ -18,4 +18,4 @@ tau0_slip 95.e6 97.e6 # per family, optimization long
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tausat_slip 222.e6 412.7e6 # per family, optimization long simplex 109
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h0_slipslip 1000.0e6
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interaction_slipslip 1 1 1.4 1.4 1.4 1.4
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w0_slip 2.0
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a_slip 2.0
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@ -338,7 +338,7 @@ def node_coord0_gridSizeOrigin(coord0,ordered=False):
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Parameters
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----------
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coord0 : numpy.ndarray
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array of undeformed nodal coordinates
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array of undeformed nodal coordinates.
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ordered : bool, optional
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expect coord0 data to be ordered (x fast, z slow).
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@ -365,7 +365,19 @@ def node_coord0_gridSizeOrigin(coord0,ordered=False):
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def regrid(size,F,new_grid):
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"""tbd."""
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"""
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Return mapping from coordinates in deformed configuration to a regular grid.
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Parameters
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----------
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size : numpy.ndarray
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physical size
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F : numpy.ndarray
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deformation gradient field
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new_grid : numpy.ndarray
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new grid for undeformed coordinates
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"""
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c = cell_coord0(F.shape[:3][::-1],size) \
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+ cell_displacement_avg(size,F) \
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+ cell_displacement_fluct(size,F)
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@ -376,4 +388,4 @@ def regrid(size,F,new_grid):
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c[np.where(c[:,:,:,d]>outer[d])] -= outer[d]
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tree = spatial.cKDTree(c.reshape((-1,3)),boxsize=outer)
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return tree.query(cell_coord0(new_grid,outer))[1]
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return tree.query(cell_coord0(new_grid,outer))[1].flatten()
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@ -77,3 +77,9 @@ class TestGridFilters:
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grid = np.random.randint(8,32,(3))
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F = np.broadcast_to(np.random.random((3,3)), tuple(grid)+(3,3)) # noqa
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assert np.allclose(eval('grid_filters.{}_displacement_fluct(size,F)'.format(mode)),0.0)
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def test_regrid(self):
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size = np.random.random(3)
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grid = np.random.randint(8,32,(3))
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F = np.broadcast_to(np.eye(3), tuple(grid[::-1])+(3,3))
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assert all(grid_filters.regrid(size,F,grid) == np.arange(grid.prod()))
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|
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@ -4,37 +4,37 @@ if (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
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SET_SOURCE_FILES_PROPERTIES("lattice.f90" PROPERTIES COMPILE_FLAGS "-ffree-line-length-240")
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endif()
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file(GLOB damask-sources *.f90 *.c)
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file (GLOB damask-sources *.f90 *.c)
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# probably we should have subfolders for abaqus and MSC.Marc
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list(FILTER damask-sources EXCLUDE REGEX ".*CPFEM.f90")
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list(FILTER damask-sources EXCLUDE REGEX ".*DAMASK_marc.*.f90")
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list(FILTER damask-sources EXCLUDE REGEX ".*mesh_marc.*.f90")
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list(FILTER damask-sources EXCLUDE REGEX ".*mesh_abaqus.*.f90")
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list(FILTER damask-sources EXCLUDE REGEX ".*commercialFEM_fileList.*.f90")
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list (FILTER damask-sources EXCLUDE REGEX ".*CPFEM.f90")
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list (FILTER damask-sources EXCLUDE REGEX ".*DAMASK_marc.*.f90")
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list (FILTER damask-sources EXCLUDE REGEX ".*mesh_marc.*.f90")
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list (FILTER damask-sources EXCLUDE REGEX ".*mesh_abaqus.*.f90")
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list (FILTER damask-sources EXCLUDE REGEX ".*commercialFEM_fileList.*.f90")
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if (PROJECT_NAME STREQUAL "damask-grid")
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list(FILTER damask-sources EXCLUDE REGEX ".*mesh_FEM.*.f90")
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file(GLOB grid-sources grid/*.f90)
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list (FILTER damask-sources EXCLUDE REGEX ".*mesh_FEM.*.f90")
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file (GLOB grid-sources grid/*.f90)
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if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
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add_executable(DAMASK_spectral ${damask-sources} ${grid-sources})
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if (NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
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add_executable (DAMASK_spectral ${damask-sources} ${grid-sources})
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install (TARGETS DAMASK_spectral RUNTIME DESTINATION bin)
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else()
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add_library(DAMASK_spectral OBJECT ${damask-sources} ${grid-sources})
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else()
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add_library (DAMASK_spectral OBJECT ${damask-sources} ${grid-sources})
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exec_program (mktemp OUTPUT_VARIABLE nothing)
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exec_program (mktemp ARGS -d OUTPUT_VARIABLE black_hole)
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install (PROGRAMS ${nothing} DESTINATION ${black_hole})
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endif()
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endif()
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elseif (PROJECT_NAME STREQUAL "damask-mesh")
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list(FILTER damask-sources EXCLUDE REGEX ".*mesh_grid.*.f90")
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file(GLOB mesh-sources mesh/*.f90)
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list (FILTER damask-sources EXCLUDE REGEX ".*mesh_grid.*.f90")
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file (GLOB mesh-sources mesh/*.f90)
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add_executable(DAMASK_FEM ${damask-sources} ${mesh-sources})
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install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin)
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add_executable (DAMASK_FEM ${damask-sources} ${mesh-sources})
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install (TARGETS DAMASK_FEM RUNTIME DESTINATION bin)
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endif()
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|
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@ -152,7 +152,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
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i, j, k, l, m, n, ph, homog, mySource
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logical updateJaco ! flag indicating if JAcobian has to be updated
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elCP = mesh_FEasCP('elem',elFE)
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elCP = mesh_FEM2DAMASK_elem(elFE)
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if (iand(debug_level(debug_CPFEM), debug_levelBasic) /= 0_pInt &
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.and. elCP == debug_e .and. ip == debug_i) then
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@ -269,7 +269,7 @@ subroutine hypela2(d,g,e,de,s,t,dt,ngens,m,nn,kcus,matus,ndi,nshear,disp, &
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if (timinc < theDelta .and. theInc == inc .and. lastLovl /= lovl) & ! first after cutback
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computationMode = CPFEM_RESTOREJACOBIAN
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elseif (lovl == 6) then ! stress requested by marc
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cp_en = mesh_FEasCP('elem',m(1))
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cp_en = mesh_FEM2DAMASK_elem(m(1))
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if (cptim > theTime .or. inc /= theInc) then ! reached "convergence"
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terminallyIll = .false.
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cycleCounter = -1 ! first calc step increments this to cycle = 0
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@ -391,7 +391,7 @@ subroutine flux(f,ts,n,time)
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real(pReal), dimension(2), intent(out) :: &
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f
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call thermal_conduction_getSourceAndItsTangent(f(1), f(2), ts(3), n(3),mesh_FEasCP('elem',n(1)))
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call thermal_conduction_getSourceAndItsTangent(f(1), f(2), ts(3), n(3),mesh_FEM2DAMASK_elem(n(1)))
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end subroutine flux
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@ -4,10 +4,10 @@
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!> @brief global variables for flow control
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!--------------------------------------------------------------------------------------------------
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module FEsolving
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use prec
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implicit none
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public
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logical :: &
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terminallyIll = .false. !< at least one material point is terminally ill
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27
src/IO.f90
27
src/IO.f90
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@ -400,15 +400,18 @@ pure function IO_lc(string)
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character(len=*), intent(in) :: string !< string to convert
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character(len=len(string)) :: IO_lc
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character(26), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
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character(26), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
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character(len=*), parameter :: LOWER = 'abcdefghijklmnopqrstuvwxyz'
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character(len=len(LOWER)), parameter :: UPPER = 'ABCDEFGHIJKLMNOPQRSTUVWXYZ'
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|
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integer :: i,n
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integer :: i,n
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|
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do i=1,len(string)
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IO_lc(i:i) = string(i:i)
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n = index(UPPER,IO_lc(i:i))
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if (n/=0) IO_lc(i:i) = LOWER(n:n)
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n = index(UPPER,string(i:i))
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if(n/=0) then
|
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IO_lc(i:i) = LOWER(n:n)
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else
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IO_lc(i:i) = string(i:i)
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endif
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enddo
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|
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end function IO_lc
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@ -549,6 +552,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
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! math errors
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case (400)
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msg = 'matrix inversion error'
|
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case (401)
|
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msg = 'error in Eigenvalue calculation'
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case (402)
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msg = 'invalid orientation specified'
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@ -876,11 +881,10 @@ integer function verifyIntValue(string)
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character(len=*), intent(in) :: string !< string for conversion to int value
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|
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integer :: readStatus, invalidWhere
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integer :: readStatus
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character(len=*), parameter :: VALIDCHARS = '0123456789+- '
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|
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invalidWhere = verify(string,VALIDCHARS)
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valid: if (invalidWhere == 0) then
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valid: if (verify(string,VALIDCHARS) == 0) then
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read(string,*,iostat=readStatus) verifyIntValue
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if (readStatus /= 0) call IO_error(111,ext_msg=string)
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else valid
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|
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@ -898,11 +902,10 @@ real(pReal) function verifyFloatValue(string)
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|
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character(len=*), intent(in) :: string !< string for conversion to float value
|
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|
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integer :: readStatus, invalidWhere
|
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integer :: readStatus
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character(len=*), parameter :: VALIDCHARS = '0123456789eE.+- '
|
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|
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invalidWhere = verify(string,VALIDCHARS)
|
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valid: if (invalidWhere == 0) then
|
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valid: if (verify(string,VALIDCHARS) == 0) then
|
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read(string,*,iostat=readStatus) verifyFloatValue
|
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if (readStatus /= 0) call IO_error(112,ext_msg=string)
|
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else valid
|
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|
|
|
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|
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@ -27,7 +27,7 @@ module config
|
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config_numerics, &
|
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config_debug
|
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|
||||
character(len=pStringLen), dimension(:), allocatable, public, protected :: &
|
||||
character(len=pStringLen), public, protected, allocatable, dimension(:) :: &
|
||||
config_name_phase, & !< name of each phase
|
||||
config_name_homogenization, & !< name of each homogenization
|
||||
config_name_crystallite, & !< name of each crystallite setting
|
||||
|
|
|
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|
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@ -3,7 +3,6 @@
|
|||
!> @author Christoph Koords, Max-Planck-Institut für Eisenforschung GmbH
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
module element
|
||||
use prec
|
||||
use IO
|
||||
|
||||
implicit none
|
||||
|
|
|
|||
181
src/math.f90
181
src/math.f90
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|
@ -8,14 +8,16 @@
|
|||
module math
|
||||
use prec
|
||||
use IO
|
||||
use debug
|
||||
use numerics
|
||||
|
||||
implicit none
|
||||
public
|
||||
#if __INTEL_COMPILER >= 1900
|
||||
! do not make use associated entities available to other modules
|
||||
private :: &
|
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prec
|
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prec, &
|
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IO, &
|
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numerics
|
||||
#endif
|
||||
|
||||
real(pReal), parameter :: PI = acos(-1.0_pReal) !< ratio of a circle's circumference to its diameter
|
||||
|
|
@ -24,24 +26,24 @@ module math
|
|||
complex(pReal), parameter :: TWOPIIMG = cmplx(0.0_pReal,2.0_pReal*PI) !< Re(0.0), Im(2xPi)
|
||||
|
||||
real(pReal), dimension(3,3), parameter :: &
|
||||
MATH_I3 = reshape([&
|
||||
math_I3 = reshape([&
|
||||
1.0_pReal,0.0_pReal,0.0_pReal, &
|
||||
0.0_pReal,1.0_pReal,0.0_pReal, &
|
||||
0.0_pReal,0.0_pReal,1.0_pReal &
|
||||
],[3,3]) !< 3x3 Identity
|
||||
|
||||
real(pReal), dimension(6), parameter, private :: &
|
||||
nrmMandel = [&
|
||||
NRMMANDEL = [&
|
||||
1.0_pReal, 1.0_pReal, 1.0_pReal, &
|
||||
sqrt(2.0_pReal), sqrt(2.0_pReal), sqrt(2.0_pReal) ] !< weighting for Mandel notation (forward)
|
||||
|
||||
real(pReal), dimension(6), parameter , private :: &
|
||||
invnrmMandel = [&
|
||||
INVNRMMANDEL = [&
|
||||
1.0_pReal, 1.0_pReal, 1.0_pReal, &
|
||||
1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal), 1.0_pReal/sqrt(2.0_pReal) ] !< weighting for Mandel notation (backward)
|
||||
|
||||
integer, dimension (2,6), parameter, private :: &
|
||||
mapNye = reshape([&
|
||||
MAPNYE = reshape([&
|
||||
1,1, &
|
||||
2,2, &
|
||||
3,3, &
|
||||
|
|
@ -51,7 +53,7 @@ module math
|
|||
],[2,6]) !< arrangement in Nye notation.
|
||||
|
||||
integer, dimension (2,6), parameter, private :: &
|
||||
mapVoigt = reshape([&
|
||||
MAPVOIGT = reshape([&
|
||||
1,1, &
|
||||
2,2, &
|
||||
3,3, &
|
||||
|
|
@ -61,7 +63,7 @@ module math
|
|||
],[2,6]) !< arrangement in Voigt notation
|
||||
|
||||
integer, dimension (2,9), parameter, private :: &
|
||||
mapPlain = reshape([&
|
||||
MAPPLAIN = reshape([&
|
||||
1,1, &
|
||||
1,2, &
|
||||
1,3, &
|
||||
|
|
@ -129,13 +131,13 @@ recursive subroutine math_sort(a, istart, iend, sortDim)
|
|||
integer, dimension(:,:), intent(inout) :: a
|
||||
integer, intent(in),optional :: istart,iend, sortDim
|
||||
integer :: ipivot,s,e,d
|
||||
|
||||
|
||||
if(present(istart)) then
|
||||
s = istart
|
||||
else
|
||||
s = lbound(a,2)
|
||||
endif
|
||||
|
||||
|
||||
if(present(iend)) then
|
||||
e = iend
|
||||
else
|
||||
|
|
@ -147,7 +149,7 @@ recursive subroutine math_sort(a, istart, iend, sortDim)
|
|||
else
|
||||
d = 1
|
||||
endif
|
||||
|
||||
|
||||
if (s < e) then
|
||||
ipivot = qsort_partition(a,s, e, d)
|
||||
call math_sort(a, s, ipivot-1, d)
|
||||
|
|
@ -232,14 +234,14 @@ end function math_range
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief second rank identity tensor of specified dimension
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_identity2nd(dimen)
|
||||
pure function math_identity2nd(d)
|
||||
|
||||
integer, intent(in) :: dimen !< tensor dimension
|
||||
integer, intent(in) :: d !< tensor dimension
|
||||
integer :: i
|
||||
real(pReal), dimension(dimen,dimen) :: math_identity2nd
|
||||
real(pReal), dimension(d,d) :: math_identity2nd
|
||||
|
||||
math_identity2nd = 0.0_pReal
|
||||
do i=1, dimen
|
||||
do i=1,d
|
||||
math_identity2nd(i,i) = 1.0_pReal
|
||||
enddo
|
||||
|
||||
|
|
@ -250,16 +252,17 @@ end function math_identity2nd
|
|||
!> @brief symmetric fourth rank identity tensor of specified dimension
|
||||
! from http://en.wikipedia.org/wiki/Tensor_derivative_(continuum_mechanics)#Derivative_of_a_second-order_tensor_with_respect_to_itself
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_identity4th(dimen)
|
||||
pure function math_identity4th(d)
|
||||
|
||||
integer, intent(in) :: dimen !< tensor dimension
|
||||
integer, intent(in) :: d !< tensor dimension
|
||||
integer :: i,j,k,l
|
||||
real(pReal), dimension(dimen,dimen,dimen,dimen) :: math_identity4th
|
||||
real(pReal), dimension(dimen,dimen) :: identity2nd
|
||||
real(pReal), dimension(d,d,d,d) :: math_identity4th
|
||||
real(pReal), dimension(d,d) :: identity2nd
|
||||
|
||||
identity2nd = math_identity2nd(dimen)
|
||||
forall(i=1:dimen,j=1:dimen,k=1:dimen,l=1:dimen) &
|
||||
identity2nd = math_identity2nd(d)
|
||||
do i=1,d; do j=1,d; do k=1,d; do l=1,d
|
||||
math_identity4th(i,j,k,l) = 0.5_pReal*(identity2nd(i,k)*identity2nd(j,l)+identity2nd(i,l)*identity2nd(j,k))
|
||||
enddo; enddo; enddo; enddo
|
||||
|
||||
end function math_identity4th
|
||||
|
||||
|
|
@ -324,7 +327,9 @@ pure function math_outer(A,B)
|
|||
real(pReal), dimension(size(A,1),size(B,1)) :: math_outer
|
||||
integer :: i,j
|
||||
|
||||
forall(i=1:size(A,1),j=1:size(B,1)) math_outer(i,j) = A(i)*B(j)
|
||||
do i=1,size(A,1); do j=1,size(B,1)
|
||||
math_outer(i,j) = A(i)*B(j)
|
||||
enddo; enddo
|
||||
|
||||
end function math_outer
|
||||
|
||||
|
|
@ -347,11 +352,13 @@ end function math_inner
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
real(pReal) pure function math_mul33xx33(A,B)
|
||||
|
||||
real(pReal), dimension(3,3), intent(in) :: A,B
|
||||
real(pReal), dimension(3,3), intent(in) :: A,B
|
||||
integer :: i,j
|
||||
real(pReal), dimension(3,3) :: C
|
||||
real(pReal), dimension(3,3) :: C
|
||||
|
||||
forall(i=1:3,j=1:3) C(i,j) = A(i,j) * B(i,j)
|
||||
do i=1,3; do j=1,3
|
||||
C(i,j) = A(i,j) * B(i,j)
|
||||
enddo; enddo
|
||||
math_mul33xx33 = sum(C)
|
||||
|
||||
end function math_mul33xx33
|
||||
|
|
@ -362,12 +369,14 @@ end function math_mul33xx33
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_mul3333xx33(A,B)
|
||||
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3), intent(in) :: B
|
||||
real(pReal), dimension(3,3) :: math_mul3333xx33
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3), intent(in) :: B
|
||||
integer :: i,j
|
||||
|
||||
forall(i = 1:3,j = 1:3) math_mul3333xx33(i,j) = sum(A(i,j,1:3,1:3)*B(1:3,1:3))
|
||||
do i=1,3; do j=1,3
|
||||
math_mul3333xx33(i,j) = sum(A(i,j,1:3,1:3)*B(1:3,1:3))
|
||||
enddo; enddo
|
||||
|
||||
end function math_mul3333xx33
|
||||
|
||||
|
|
@ -378,12 +387,13 @@ end function math_mul3333xx33
|
|||
pure function math_mul3333xx3333(A,B)
|
||||
|
||||
integer :: i,j,k,l
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: B
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: A
|
||||
real(pReal), dimension(3,3,3,3), intent(in) :: B
|
||||
real(pReal), dimension(3,3,3,3) :: math_mul3333xx3333
|
||||
|
||||
forall(i = 1:3,j = 1:3, k = 1:3, l= 1:3) &
|
||||
do i=1,3; do j=1,3; do k=1,3; do l=1,3
|
||||
math_mul3333xx3333(i,j,k,l) = sum(A(i,j,1:3,1:3)*B(1:3,1:3,k,l))
|
||||
enddo; enddo; enddo; enddo
|
||||
|
||||
end function math_mul3333xx3333
|
||||
|
||||
|
|
@ -393,12 +403,11 @@ end function math_mul3333xx3333
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
pure function math_exp33(A,n)
|
||||
|
||||
integer :: i
|
||||
integer, intent(in), optional :: n
|
||||
real(pReal), dimension(3,3), intent(in) :: A
|
||||
integer, intent(in), optional :: n
|
||||
real(pReal), dimension(3,3) :: B, math_exp33
|
||||
real(pReal) :: invFac
|
||||
integer :: n_
|
||||
integer :: n_,i
|
||||
|
||||
if (present(n)) then
|
||||
n_ = n
|
||||
|
|
@ -646,7 +655,7 @@ pure function math_33to9(m33)
|
|||
integer :: i
|
||||
|
||||
do i = 1, 9
|
||||
math_33to9(i) = m33(mapPlain(1,i),mapPlain(2,i))
|
||||
math_33to9(i) = m33(MAPPLAIN(1,i),MAPPLAIN(2,i))
|
||||
enddo
|
||||
|
||||
end function math_33to9
|
||||
|
|
@ -663,7 +672,7 @@ pure function math_9to33(v9)
|
|||
integer :: i
|
||||
|
||||
do i = 1, 9
|
||||
math_9to33(mapPlain(1,i),mapPlain(2,i)) = v9(i)
|
||||
math_9to33(MAPPLAIN(1,i),MAPPLAIN(2,i)) = v9(i)
|
||||
enddo
|
||||
|
||||
end function math_9to33
|
||||
|
|
@ -685,13 +694,13 @@ pure function math_sym33to6(m33,weighted)
|
|||
integer :: i
|
||||
|
||||
if(present(weighted)) then
|
||||
w = merge(nrmMandel,1.0_pReal,weighted)
|
||||
w = merge(NRMMANDEL,1.0_pReal,weighted)
|
||||
else
|
||||
w = nrmMandel
|
||||
w = NRMMANDEL
|
||||
endif
|
||||
|
||||
do i = 1, 6
|
||||
math_sym33to6(i) = w(i)*m33(mapNye(1,i),mapNye(2,i))
|
||||
math_sym33to6(i) = w(i)*m33(MAPNYE(1,i),MAPNYE(2,i))
|
||||
enddo
|
||||
|
||||
end function math_sym33to6
|
||||
|
|
@ -713,14 +722,14 @@ pure function math_6toSym33(v6,weighted)
|
|||
integer :: i
|
||||
|
||||
if(present(weighted)) then
|
||||
w = merge(invnrmMandel,1.0_pReal,weighted)
|
||||
w = merge(INVNRMMANDEL,1.0_pReal,weighted)
|
||||
else
|
||||
w = invnrmMandel
|
||||
w = INVNRMMANDEL
|
||||
endif
|
||||
|
||||
do i=1,6
|
||||
math_6toSym33(mapNye(1,i),mapNye(2,i)) = w(i)*v6(i)
|
||||
math_6toSym33(mapNye(2,i),mapNye(1,i)) = w(i)*v6(i)
|
||||
math_6toSym33(MAPNYE(1,i),MAPNYE(2,i)) = w(i)*v6(i)
|
||||
math_6toSym33(MAPNYE(2,i),MAPNYE(1,i)) = w(i)*v6(i)
|
||||
enddo
|
||||
|
||||
end function math_6toSym33
|
||||
|
|
@ -737,7 +746,7 @@ pure function math_3333to99(m3333)
|
|||
integer :: i,j
|
||||
|
||||
do i=1,9; do j=1,9
|
||||
math_3333to99(i,j) = m3333(mapPlain(1,i),mapPlain(2,i),mapPlain(1,j),mapPlain(2,j))
|
||||
math_3333to99(i,j) = m3333(MAPPLAIN(1,i),MAPPLAIN(2,i),MAPPLAIN(1,j),MAPPLAIN(2,j))
|
||||
enddo; enddo
|
||||
|
||||
end function math_3333to99
|
||||
|
|
@ -754,7 +763,7 @@ pure function math_99to3333(m99)
|
|||
integer :: i,j
|
||||
|
||||
do i=1,9; do j=1,9
|
||||
math_99to3333(mapPlain(1,i),mapPlain(2,i),mapPlain(1,j),mapPlain(2,j)) = m99(i,j)
|
||||
math_99to3333(MAPPLAIN(1,i),MAPPLAIN(2,i),MAPPLAIN(1,j),MAPPLAIN(2,j)) = m99(i,j)
|
||||
enddo; enddo
|
||||
|
||||
end function math_99to3333
|
||||
|
|
@ -776,13 +785,13 @@ pure function math_sym3333to66(m3333,weighted)
|
|||
integer :: i,j
|
||||
|
||||
if(present(weighted)) then
|
||||
w = merge(nrmMandel,1.0_pReal,weighted)
|
||||
w = merge(NRMMANDEL,1.0_pReal,weighted)
|
||||
else
|
||||
w = nrmMandel
|
||||
w = NRMMANDEL
|
||||
endif
|
||||
|
||||
do i=1,6; do j=1,6
|
||||
math_sym3333to66(i,j) = w(i)*w(j)*m3333(mapNye(1,i),mapNye(2,i),mapNye(1,j),mapNye(2,j))
|
||||
math_sym3333to66(i,j) = w(i)*w(j)*m3333(MAPNYE(1,i),MAPNYE(2,i),MAPNYE(1,j),MAPNYE(2,j))
|
||||
enddo; enddo
|
||||
|
||||
end function math_sym3333to66
|
||||
|
|
@ -804,16 +813,16 @@ pure function math_66toSym3333(m66,weighted)
|
|||
integer :: i,j
|
||||
|
||||
if(present(weighted)) then
|
||||
w = merge(invnrmMandel,1.0_pReal,weighted)
|
||||
w = merge(INVNRMMANDEL,1.0_pReal,weighted)
|
||||
else
|
||||
w = invnrmMandel
|
||||
w = INVNRMMANDEL
|
||||
endif
|
||||
|
||||
do i=1,6; do j=1,6
|
||||
math_66toSym3333(mapNye(1,i),mapNye(2,i),mapNye(1,j),mapNye(2,j)) = w(i)*w(j)*m66(i,j)
|
||||
math_66toSym3333(mapNye(2,i),mapNye(1,i),mapNye(1,j),mapNye(2,j)) = w(i)*w(j)*m66(i,j)
|
||||
math_66toSym3333(mapNye(1,i),mapNye(2,i),mapNye(2,j),mapNye(1,j)) = w(i)*w(j)*m66(i,j)
|
||||
math_66toSym3333(mapNye(2,i),mapNye(1,i),mapNye(2,j),mapNye(1,j)) = w(i)*w(j)*m66(i,j)
|
||||
math_66toSym3333(MAPNYE(1,i),MAPNYE(2,i),MAPNYE(1,j),MAPNYE(2,j)) = w(i)*w(j)*m66(i,j)
|
||||
math_66toSym3333(MAPNYE(2,i),MAPNYE(1,i),MAPNYE(1,j),MAPNYE(2,j)) = w(i)*w(j)*m66(i,j)
|
||||
math_66toSym3333(MAPNYE(1,i),MAPNYE(2,i),MAPNYE(2,j),MAPNYE(1,j)) = w(i)*w(j)*m66(i,j)
|
||||
math_66toSym3333(MAPNYE(2,i),MAPNYE(1,i),MAPNYE(2,j),MAPNYE(1,j)) = w(i)*w(j)*m66(i,j)
|
||||
enddo; enddo
|
||||
|
||||
end function math_66toSym3333
|
||||
|
|
@ -829,10 +838,10 @@ pure function math_Voigt66to3333(m66)
|
|||
integer :: i,j
|
||||
|
||||
do i=1,6; do j=1, 6
|
||||
math_Voigt66to3333(mapVoigt(1,i),mapVoigt(2,i),mapVoigt(1,j),mapVoigt(2,j)) = m66(i,j)
|
||||
math_Voigt66to3333(mapVoigt(2,i),mapVoigt(1,i),mapVoigt(1,j),mapVoigt(2,j)) = m66(i,j)
|
||||
math_Voigt66to3333(mapVoigt(1,i),mapVoigt(2,i),mapVoigt(2,j),mapVoigt(1,j)) = m66(i,j)
|
||||
math_Voigt66to3333(mapVoigt(2,i),mapVoigt(1,i),mapVoigt(2,j),mapVoigt(1,j)) = m66(i,j)
|
||||
math_Voigt66to3333(MAPVOIGT(1,i),MAPVOIGT(2,i),MAPVOIGT(1,j),MAPVOIGT(2,j)) = m66(i,j)
|
||||
math_Voigt66to3333(MAPVOIGT(2,i),MAPVOIGT(1,i),MAPVOIGT(1,j),MAPVOIGT(2,j)) = m66(i,j)
|
||||
math_Voigt66to3333(MAPVOIGT(1,i),MAPVOIGT(2,i),MAPVOIGT(2,j),MAPVOIGT(1,j)) = m66(i,j)
|
||||
math_Voigt66to3333(MAPVOIGT(2,i),MAPVOIGT(1,i),MAPVOIGT(2,j),MAPVOIGT(1,j)) = m66(i,j)
|
||||
enddo; enddo
|
||||
|
||||
end function math_Voigt66to3333
|
||||
|
|
@ -1201,7 +1210,7 @@ end function math_invariantsSym33
|
|||
integer pure function math_factorial(n)
|
||||
|
||||
integer, intent(in) :: n
|
||||
|
||||
|
||||
math_factorial = product(math_range(n))
|
||||
|
||||
end function math_factorial
|
||||
|
|
@ -1233,7 +1242,7 @@ integer pure function math_multinomial(alpha)
|
|||
|
||||
integer, intent(in), dimension(:) :: alpha
|
||||
integer :: i
|
||||
|
||||
|
||||
math_multinomial = 1
|
||||
do i = 1, size(alpha)
|
||||
math_multinomial = math_multinomial*math_binomial(sum(alpha(1:i)),alpha(i))
|
||||
|
|
@ -1293,12 +1302,12 @@ end function math_clip
|
|||
!> @brief check correctness of (some) math functions
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine unitTest
|
||||
|
||||
|
||||
integer, dimension(2,4) :: &
|
||||
sort_in_ = reshape([+1,+5, +5,+6, -1,-1, +3,-2],[2,4])
|
||||
integer, dimension(2,4), parameter :: &
|
||||
sort_out_ = reshape([-1,-1, +1,+5, +5,+6, +3,-2],[2,4])
|
||||
|
||||
|
||||
integer, dimension(5) :: range_out_ = [1,2,3,4,5]
|
||||
|
||||
real(pReal) :: det
|
||||
|
|
@ -1308,8 +1317,12 @@ subroutine unitTest
|
|||
real(pReal), dimension(3,3) :: t33,t33_2
|
||||
real(pReal), dimension(6,6) :: t66
|
||||
real(pReal), dimension(9,9) :: t99,t99_2
|
||||
real(pReal), dimension(:,:), &
|
||||
allocatable :: txx,txx_2
|
||||
real(pReal) :: r
|
||||
integer :: d
|
||||
logical :: e
|
||||
|
||||
|
||||
if (any(abs([1.0_pReal,2.0_pReal,2.0_pReal,3.0_pReal,3.0_pReal,3.0_pReal] - &
|
||||
math_expand([1.0_pReal,2.0_pReal,3.0_pReal],[1,2,3,0])) > tol_math_check)) &
|
||||
call IO_error(0,ext_msg='math_expand [1,2,3] by [1,2,3,0] => [1,2,2,3,3,3]')
|
||||
|
|
@ -1322,15 +1335,19 @@ subroutine unitTest
|
|||
math_expand([1.0_pReal,2.0_pReal],[1,2,3])) > tol_math_check)) &
|
||||
call IO_error(0,ext_msg='math_expand [1,2] by [1,2,3] => [1,2,2,1,1,1]')
|
||||
|
||||
|
||||
call math_sort(sort_in_,1,3,2)
|
||||
if(any(sort_in_ /= sort_out_)) &
|
||||
call IO_error(0,ext_msg='math_sort')
|
||||
|
||||
|
||||
if(any(math_range(5) /= range_out_)) &
|
||||
call IO_error(0,ext_msg='math_range')
|
||||
|
||||
|
||||
|
||||
if(any(dNeq(math_exp33(math_I3,0),math_I3))) &
|
||||
call IO_error(0,ext_msg='math_exp33(math_I3,1)')
|
||||
|
||||
if(any(dNeq(math_exp33(math_I3,256),exp(1.0_pReal)*math_I3))) &
|
||||
call IO_error(0,ext_msg='math_exp33(math_I3,256)')
|
||||
|
||||
call random_number(v9)
|
||||
if(any(dNeq(math_33to9(math_9to33(v9)),v9))) &
|
||||
call IO_error(0,ext_msg='math_33to9/math_9to33')
|
||||
|
|
@ -1338,56 +1355,66 @@ subroutine unitTest
|
|||
call random_number(t99)
|
||||
if(any(dNeq(math_3333to99(math_99to3333(t99)),t99))) &
|
||||
call IO_error(0,ext_msg='math_3333to99/math_99to3333')
|
||||
|
||||
|
||||
call random_number(v6)
|
||||
if(any(dNeq(math_sym33to6(math_6toSym33(v6)),v6))) &
|
||||
call IO_error(0,ext_msg='math_sym33to6/math_6toSym33')
|
||||
|
||||
|
||||
call random_number(t66)
|
||||
if(any(dNeq(math_sym3333to66(math_66toSym3333(t66)),t66))) &
|
||||
call IO_error(0,ext_msg='math_sym3333to66/math_66toSym3333')
|
||||
|
||||
|
||||
call random_number(v6)
|
||||
if(any(dNeq0(math_6toSym33(v6) - math_symmetric33(math_6toSym33(v6))))) &
|
||||
call IO_error(0,ext_msg='math_symmetric33')
|
||||
|
||||
|
||||
call random_number(v3_1)
|
||||
call random_number(v3_2)
|
||||
call random_number(v3_3)
|
||||
call random_number(v3_4)
|
||||
|
||||
|
||||
if(dNeq(abs(dot_product(math_cross(v3_1-v3_4,v3_2-v3_4),v3_3-v3_4))/6.0, &
|
||||
math_volTetrahedron(v3_1,v3_2,v3_3,v3_4),tol=1.0e-12_pReal)) &
|
||||
call IO_error(0,ext_msg='math_volTetrahedron')
|
||||
|
||||
|
||||
call random_number(t33)
|
||||
if(dNeq(math_det33(math_symmetric33(t33)),math_detSym33(math_symmetric33(t33)),tol=1.0e-12_pReal)) &
|
||||
call IO_error(0,ext_msg='math_det33/math_detSym33')
|
||||
|
||||
if(any(dNeq0(math_identity2nd(3),math_inv33(math_I3)))) &
|
||||
call IO_error(0,ext_msg='math_inv33(math_I3)')
|
||||
|
||||
do while(abs(math_det33(t33))<1.0e-9_pReal)
|
||||
call random_number(t33)
|
||||
enddo
|
||||
if(any(dNeq0(matmul(t33,math_inv33(t33)) - math_identity2nd(3),tol=1.0e-9_pReal))) &
|
||||
call IO_error(0,ext_msg='math_inv33')
|
||||
|
||||
|
||||
call math_invert33(t33_2,det,e,t33)
|
||||
if(any(dNeq0(matmul(t33,t33_2) - math_identity2nd(3),tol=1.0e-9_pReal)) .or. e) &
|
||||
call IO_error(0,ext_msg='math_invert33: T:T^-1 != I')
|
||||
if(dNeq(det,math_det33(t33),tol=1.0e-12_pReal)) &
|
||||
call IO_error(0,ext_msg='math_invert33 (determinant)')
|
||||
|
||||
|
||||
call math_invert(t33_2,e,t33)
|
||||
if(any(dNeq0(matmul(t33,t33_2) - math_identity2nd(3),tol=1.0e-9_pReal)) .or. e) &
|
||||
call IO_error(0,ext_msg='math_invert t33')
|
||||
|
||||
|
||||
t33_2 = transpose(math_rotationalPart33(t33))
|
||||
if(any(dNeq0(math_rotationalPart33(matmul(t33_2,t33)) - MATH_I3,tol=5.0e-4_pReal))) &
|
||||
call IO_error(0,ext_msg='math_rotationalPart33')
|
||||
|
||||
call random_number(r)
|
||||
d = int(r*5.0_pReal) + 1
|
||||
txx = math_identity2nd(d)
|
||||
allocate(txx_2(d,d))
|
||||
call math_invert(txx_2,e,txx)
|
||||
if(any(dNeq0(txx_2,txx) .or. e)) &
|
||||
call IO_error(0,ext_msg='math_invert(txx)/math_identity2nd')
|
||||
|
||||
call math_invert(t99_2,e,t99) ! not sure how likely it is that we get a singular matrix
|
||||
if(any(dNeq0(matmul(t99_2,t99)-math_identity2nd(9),tol=1.0e-9_pReal)) .or. e) &
|
||||
call IO_error(0,ext_msg='math_invert t99')
|
||||
call IO_error(0,ext_msg='math_invert(t99)')
|
||||
|
||||
if(any(dNeq(math_clip([4.0_pReal,9.0_pReal],5.0_pReal,6.5_pReal),[5.0_pReal,6.5_pReal]))) &
|
||||
call IO_error(0,ext_msg='math_clip')
|
||||
|
|
|
|||
|
|
@ -18,10 +18,10 @@ module mesh_grid
|
|||
use discretization
|
||||
use geometry_plastic_nonlocal
|
||||
use FEsolving
|
||||
|
||||
|
||||
implicit none
|
||||
private
|
||||
|
||||
|
||||
integer, dimension(3), public, protected :: &
|
||||
grid !< (global) grid
|
||||
integer, public, protected :: &
|
||||
|
|
@ -32,10 +32,10 @@ module mesh_grid
|
|||
real(pReal), public, protected :: &
|
||||
size3, & !< (local) size in 3rd direction
|
||||
size3offset !< (local) size offset in 3rd direction
|
||||
|
||||
|
||||
public :: &
|
||||
mesh_init
|
||||
|
||||
|
||||
contains
|
||||
|
||||
|
||||
|
|
@ -45,7 +45,7 @@ contains
|
|||
subroutine mesh_init(ip,el)
|
||||
|
||||
integer, intent(in), optional :: el, ip ! for compatibility reasons
|
||||
|
||||
|
||||
include 'fftw3-mpi.f03'
|
||||
real(pReal), dimension(3) :: &
|
||||
mySize, & !< domain size of this process
|
||||
|
|
@ -93,7 +93,7 @@ subroutine mesh_init(ip,el)
|
|||
call discretization_init(homogenizationAt,microstructureAt, &
|
||||
IPcoordinates0(myGrid,mySize,grid3Offset), &
|
||||
Nodes0(myGrid,mySize,grid3Offset),&
|
||||
merge((grid(1)+1) * (grid(2)+1) * (grid3+1),& ! write bottom layer
|
||||
merge((grid(1)+1) * (grid(2)+1) * (grid3+1),& ! write bottom layer
|
||||
(grid(1)+1) * (grid(2)+1) * grid3,& ! do not write bottom layer (is top of rank-1)
|
||||
worldrank<1))
|
||||
|
||||
|
|
@ -113,8 +113,8 @@ subroutine mesh_init(ip,el)
|
|||
! geometry information required by the nonlocal CP model
|
||||
call geometry_plastic_nonlocal_setIPvolume(reshape([(product(mySize/real(myGrid,pReal)),j=1,product(myGrid))], &
|
||||
[1,product(myGrid)]))
|
||||
call geometry_plastic_nonlocal_setIParea (cellEdgeArea(mySize,myGrid))
|
||||
call geometry_plastic_nonlocal_setIPareaNormal (cellEdgeNormal(product(myGrid)))
|
||||
call geometry_plastic_nonlocal_setIParea (cellSurfaceArea(mySize,myGrid))
|
||||
call geometry_plastic_nonlocal_setIPareaNormal (cellSurfaceNormal(product(myGrid)))
|
||||
call geometry_plastic_nonlocal_setIPneighborhood(IPneighborhood(myGrid))
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -127,7 +127,7 @@ end subroutine mesh_init
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Parses geometry file
|
||||
!> @details important variables have an implicit "save" attribute. Therefore, this function is
|
||||
!> @details important variables have an implicit "save" attribute. Therefore, this function is
|
||||
! supposed to be called only once!
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
||||
|
|
@ -140,7 +140,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
integer, dimension(:), intent(out), allocatable :: &
|
||||
microstructure, &
|
||||
homogenization
|
||||
|
||||
|
||||
character(len=:), allocatable :: rawData
|
||||
character(len=65536) :: line
|
||||
integer, allocatable, dimension(:) :: chunkPos
|
||||
|
|
@ -154,9 +154,9 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
l, & !< line counter
|
||||
c, & !< counter for # microstructures in line
|
||||
o, & !< order of "to" packing
|
||||
e, & !< "element", i.e. spectral collocation point
|
||||
e, & !< "element", i.e. spectral collocation point
|
||||
i, j
|
||||
|
||||
|
||||
grid = -1
|
||||
geomSize = -1.0_pReal
|
||||
|
||||
|
|
@ -169,7 +169,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
allocate(character(len=fileLength)::rawData)
|
||||
read(fileUnit) rawData
|
||||
close(fileUnit)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! get header length
|
||||
endPos = index(rawData,IO_EOL)
|
||||
|
|
@ -196,7 +196,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
|
||||
chunkPos = IO_stringPos(trim(line))
|
||||
if (chunkPos(1) < 2) cycle ! need at least one keyword value pair
|
||||
|
||||
|
||||
select case (IO_lc(IO_StringValue(trim(line),chunkPos,1)) )
|
||||
case ('grid')
|
||||
if (chunkPos(1) > 6) then
|
||||
|
|
@ -211,7 +211,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
end select
|
||||
enddo
|
||||
endif
|
||||
|
||||
|
||||
case ('size')
|
||||
if (chunkPos(1) > 6) then
|
||||
do j = 2,6,2
|
||||
|
|
@ -225,7 +225,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
end select
|
||||
enddo
|
||||
endif
|
||||
|
||||
|
||||
case ('origin')
|
||||
if (chunkPos(1) > 6) then
|
||||
do j = 2,6,2
|
||||
|
|
@ -258,7 +258,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
|
||||
allocate(microstructure(product(grid)), source = -1) ! too large in case of MPI (shrink later, not very elegant)
|
||||
allocate(homogenization(product(grid)), source = h) ! too large in case of MPI (shrink later, not very elegant)
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! read and interpret content
|
||||
e = 1
|
||||
|
|
@ -269,7 +269,7 @@ subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
|
|||
startPos = endPos + 1
|
||||
l = l + 1
|
||||
chunkPos = IO_stringPos(trim(line))
|
||||
|
||||
|
||||
noCompression: if (chunkPos(1) /= 3) then
|
||||
c = chunkPos(1)
|
||||
microstructure(e:e+c-1) = [(IO_intValue(line,chunkPos,i+1), i=0, c-1)]
|
||||
|
|
@ -309,7 +309,7 @@ function IPcoordinates0(grid,geomSize,grid3Offset)
|
|||
integer :: &
|
||||
a,b,c, &
|
||||
i
|
||||
|
||||
|
||||
i = 0
|
||||
do c = 1, grid(3); do b = 1, grid(2); do a = 1, grid(1)
|
||||
i = i + 1
|
||||
|
|
@ -346,37 +346,37 @@ end function nodes0
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculate IP interface areas
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function cellEdgeArea(geomSize,grid)
|
||||
|
||||
pure function cellSurfaceArea(geomSize,grid)
|
||||
|
||||
real(pReal), dimension(3), intent(in) :: geomSize ! size (for this process!)
|
||||
integer, dimension(3), intent(in) :: grid ! grid (for this process!)
|
||||
|
||||
real(pReal), dimension(6,1,product(grid)) :: cellEdgeArea
|
||||
|
||||
cellEdgeArea(1:2,1,:) = geomSize(2)/real(grid(2)) * geomSize(3)/real(grid(3))
|
||||
cellEdgeArea(3:4,1,:) = geomSize(3)/real(grid(3)) * geomSize(1)/real(grid(1))
|
||||
cellEdgeArea(5:6,1,:) = geomSize(1)/real(grid(1)) * geomSize(2)/real(grid(2))
|
||||
|
||||
end function cellEdgeArea
|
||||
real(pReal), dimension(6,1,product(grid)) :: cellSurfaceArea
|
||||
|
||||
cellSurfaceArea(1:2,1,:) = geomSize(2)/real(grid(2)) * geomSize(3)/real(grid(3))
|
||||
cellSurfaceArea(3:4,1,:) = geomSize(3)/real(grid(3)) * geomSize(1)/real(grid(1))
|
||||
cellSurfaceArea(5:6,1,:) = geomSize(1)/real(grid(1)) * geomSize(2)/real(grid(2))
|
||||
|
||||
end function cellSurfaceArea
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Calculate IP interface areas normals
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
pure function cellEdgeNormal(nElems)
|
||||
pure function cellSurfaceNormal(nElems)
|
||||
|
||||
integer, intent(in) :: nElems
|
||||
|
||||
real(pReal), dimension(3,6,1,nElems) :: cellEdgeNormal
|
||||
|
||||
cellEdgeNormal(1:3,1,1,:) = spread([+1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellEdgeNormal(1:3,2,1,:) = spread([-1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellEdgeNormal(1:3,3,1,:) = spread([ 0.0_pReal,+1.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellEdgeNormal(1:3,4,1,:) = spread([ 0.0_pReal,-1.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellEdgeNormal(1:3,5,1,:) = spread([ 0.0_pReal, 0.0_pReal,+1.0_pReal],2,nElems)
|
||||
cellEdgeNormal(1:3,6,1,:) = spread([ 0.0_pReal, 0.0_pReal,-1.0_pReal],2,nElems)
|
||||
|
||||
end function cellEdgeNormal
|
||||
real(pReal), dimension(3,6,1,nElems) :: cellSurfaceNormal
|
||||
|
||||
cellSurfaceNormal(1:3,1,1,:) = spread([+1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,2,1,:) = spread([-1.0_pReal, 0.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,3,1,:) = spread([ 0.0_pReal,+1.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,4,1,:) = spread([ 0.0_pReal,-1.0_pReal, 0.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,5,1,:) = spread([ 0.0_pReal, 0.0_pReal,+1.0_pReal],2,nElems)
|
||||
cellSurfaceNormal(1:3,6,1,:) = spread([ 0.0_pReal, 0.0_pReal,-1.0_pReal],2,nElems)
|
||||
|
||||
end function cellSurfaceNormal
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -385,9 +385,9 @@ end function cellEdgeNormal
|
|||
pure function IPneighborhood(grid)
|
||||
|
||||
integer, dimension(3), intent(in) :: grid ! grid (for this process!)
|
||||
|
||||
integer, dimension(3,6,1,product(grid)) :: IPneighborhood !< 6 or less neighboring IPs as [element_num, IP_index, neighbor_index that points to me]
|
||||
|
||||
|
||||
integer, dimension(3,6,1,product(grid)) :: IPneighborhood !< 6 neighboring IPs as [element ID, IP ID, face ID]
|
||||
|
||||
integer :: &
|
||||
x,y,z, &
|
||||
e
|
||||
|
|
@ -432,7 +432,7 @@ pure function IPneighborhood(grid)
|
|||
IPneighborhood(3,6,1,e) = 5
|
||||
|
||||
enddo; enddo; enddo
|
||||
|
||||
|
||||
end function IPneighborhood
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -32,17 +32,12 @@ module mesh
|
|||
real(pReal), public, protected :: &
|
||||
mesh_unitlength !< physical length of one unit in mesh
|
||||
|
||||
integer, dimension(:,:), allocatable, target :: &
|
||||
mesh_mapFEtoCPelem, & !< [sorted FEid, corresponding CPid]
|
||||
mesh_mapFEtoCPnode !< [sorted FEnode, corresponding CPnode]
|
||||
|
||||
integer, dimension(:), allocatable :: &
|
||||
mapMarc2DAMASK_elem, & !< DAMASK element ID for Marc element ID
|
||||
mapMarc2DAMASK_node !< DAMASK node ID for Marc node ID
|
||||
integer, dimension(:), allocatable, public :: &
|
||||
mesh_FEM2DAMASK_elem, & !< DAMASK element ID for Marc element ID
|
||||
mesh_FEM2DAMASK_node !< DAMASK node ID for Marc node ID
|
||||
|
||||
public :: &
|
||||
mesh_init, &
|
||||
mesh_FEasCP
|
||||
mesh_init
|
||||
|
||||
contains
|
||||
|
||||
|
|
@ -89,7 +84,7 @@ subroutine mesh_init(ip,el)
|
|||
FEsolving_execIP = [1,elem%nIPs]
|
||||
|
||||
allocate(calcMode(elem%nIPs,nElems),source=.false.) ! pretend to have collected what first call is asking (F = I)
|
||||
calcMode(ip,mesh_FEasCP('elem',el)) = .true. ! first ip,el needs to be already pingponged to "calc"
|
||||
calcMode(ip,mesh_FEM2DAMASK_elem(el)) = .true. ! first ip,el needs to be already pingponged to "calc"
|
||||
|
||||
|
||||
allocate(cellNodeDefinition(elem%nNodes-1))
|
||||
|
|
@ -215,13 +210,11 @@ subroutine inputRead(elem,node0_elem,connectivity_elem,microstructureAt,homogeni
|
|||
call inputRead_elemType(elem, &
|
||||
nElems,inputFile)
|
||||
|
||||
allocate (mesh_mapFEtoCPelem(2,nElems), source=0)
|
||||
call inputRead_mapElems(mapMarc2DAMASK_elem,&
|
||||
elem%nNodes,inputFile)
|
||||
call inputRead_mapElems(mesh_FEM2DAMASK_elem,&
|
||||
nElems,elem%nNodes,inputFile)
|
||||
|
||||
allocate (mesh_mapFEtoCPnode(2,Nnodes), source=0)
|
||||
call inputRead_mapNodes(mapMarc2DAMASK_node,&
|
||||
inputFile)
|
||||
call inputRead_mapNodes(mesh_FEM2DAMASK_node,&
|
||||
nNodes,inputFile)
|
||||
|
||||
call inputRead_elemNodes(node0_elem, &
|
||||
Nnodes,inputFile)
|
||||
|
|
@ -432,14 +425,16 @@ end subroutine inputRead_mapElemSets
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Maps elements from FE ID to internal (consecutive) representation.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine inputRead_mapElems(map, &
|
||||
nNodes,fileContent)
|
||||
subroutine inputRead_mapElems(FEM2DAMASK, &
|
||||
nElems,nNodesPerElem,fileContent)
|
||||
|
||||
integer, allocatable, dimension(:), intent(out) :: map
|
||||
integer, allocatable, dimension(:), intent(out) :: FEM2DAMASK
|
||||
|
||||
integer, intent(in) :: nNodes !< number of nodes per element
|
||||
integer, intent(in) :: nElems, & !< number of elements
|
||||
nNodesPerElem !< number of nodes per element
|
||||
character(len=*), dimension(:), intent(in) :: fileContent !< file content, separated per lines
|
||||
|
||||
integer, dimension(2,nElems) :: map_unsorted
|
||||
integer, allocatable, dimension(:) :: chunkPos
|
||||
integer :: i,j,l,nNodesAlreadyRead
|
||||
|
||||
|
|
@ -448,11 +443,11 @@ subroutine inputRead_mapElems(map, &
|
|||
if(chunkPos(1) < 1) cycle
|
||||
if(IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'connectivity') then
|
||||
j = 0
|
||||
do i = 1,size(mesh_mapFEtoCPelem,2)
|
||||
do i = 1,nElems
|
||||
chunkPos = IO_stringPos(fileContent(l+1+i+j))
|
||||
mesh_mapFEtoCPelem(:,i) = [IO_intValue(fileContent(l+1+i+j),chunkPos,1),i]
|
||||
map_unsorted(:,i) = [IO_intValue(fileContent(l+1+i+j),chunkPos,1),i]
|
||||
nNodesAlreadyRead = chunkPos(1) - 2
|
||||
do while(nNodesAlreadyRead < nNodes) ! read on if not all nodes in one line
|
||||
do while(nNodesAlreadyRead < nNodesPerElem) ! read on if not all nodes in one line
|
||||
j = j + 1
|
||||
chunkPos = IO_stringPos(fileContent(l+1+i+j))
|
||||
nNodesAlreadyRead = nNodesAlreadyRead + chunkPos(1)
|
||||
|
|
@ -462,10 +457,10 @@ subroutine inputRead_mapElems(map, &
|
|||
endif
|
||||
enddo
|
||||
|
||||
call math_sort(mesh_mapFEtoCPelem)
|
||||
allocate(map(minval(mesh_mapFEtoCPelem(1,:)):maxval(mesh_mapFEtoCPelem(1,:))),source=-1)
|
||||
do i = 1,size(mesh_mapFEtoCPelem,2)
|
||||
map(mesh_mapFEtoCPelem(1,i)) = mesh_mapFEtoCPelem(2,i)
|
||||
call math_sort(map_unsorted)
|
||||
allocate(FEM2DAMASK(minval(map_unsorted(1,:)):maxval(map_unsorted(1,:))),source=-1)
|
||||
do i = 1, nElems
|
||||
FEM2DAMASK(map_unsorted(1,i)) = map_unsorted(2,i)
|
||||
enddo
|
||||
|
||||
end subroutine inputRead_mapElems
|
||||
|
|
@ -474,13 +469,15 @@ end subroutine inputRead_mapElems
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Maps node from FE ID to internal (consecutive) representation.
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine inputRead_mapNodes(map, &
|
||||
fileContent)
|
||||
subroutine inputRead_mapNodes(FEM2DAMASK, &
|
||||
nNodes,fileContent)
|
||||
|
||||
integer, allocatable, dimension(:), intent(out) :: map
|
||||
integer, allocatable, dimension(:), intent(out) :: FEM2DAMASK
|
||||
|
||||
integer, intent(in) :: nNodes !< number of nodes
|
||||
character(len=*), dimension(:), intent(in) :: fileContent !< file content, separated per lines
|
||||
|
||||
integer, dimension(2,nNodes) :: map_unsorted
|
||||
integer, allocatable, dimension(:) :: chunkPos
|
||||
integer :: i, l
|
||||
|
||||
|
|
@ -488,18 +485,18 @@ subroutine inputRead_mapNodes(map, &
|
|||
chunkPos = IO_stringPos(fileContent(l))
|
||||
if(chunkPos(1) < 1) cycle
|
||||
if(IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates') then
|
||||
do i = 1,size(mesh_mapFEtoCPnode,2)
|
||||
do i = 1,nNodes
|
||||
chunkPos = IO_stringPos(fileContent(l+1+i))
|
||||
mesh_mapFEtoCPnode(:,i) = [IO_intValue(fileContent(l+1+i),chunkPos,1),i]
|
||||
map_unsorted(:,i) = [IO_intValue(fileContent(l+1+i),chunkPos,1),i]
|
||||
enddo
|
||||
exit
|
||||
endif
|
||||
enddo
|
||||
|
||||
call math_sort(mesh_mapFEtoCPnode)
|
||||
allocate(map(minval(mesh_mapFEtoCPnode(1,:)):maxval(mesh_mapFEtoCPnode(1,:))),source=-1)
|
||||
do i = 1,size(mesh_mapFEtoCPnode,2)
|
||||
map(mesh_mapFEtoCPnode(1,i)) = mesh_mapFEtoCPnode(2,i)
|
||||
call math_sort(map_unsorted)
|
||||
allocate(FEM2DAMASK(minval(map_unsorted(1,:)):maxval(map_unsorted(1,:))),source=-1)
|
||||
do i = 1, nNodes
|
||||
FEM2DAMASK(map_unsorted(1,i)) = map_unsorted(2,i)
|
||||
enddo
|
||||
|
||||
end subroutine inputRead_mapNodes
|
||||
|
|
@ -526,7 +523,7 @@ subroutine inputRead_elemNodes(nodes, &
|
|||
if(IO_lc(IO_stringValue(fileContent(l),chunkPos,1)) == 'coordinates') then
|
||||
do i=1,nNode
|
||||
chunkPos = IO_stringPos(fileContent(l+1+i))
|
||||
m = mesh_FEasCP('node',IO_intValue(fileContent(l+1+i),chunkPos,1))
|
||||
m = mesh_FEM2DAMASK_node(IO_intValue(fileContent(l+1+i),chunkPos,1))
|
||||
do j = 1,3
|
||||
nodes(j,m) = mesh_unitlength * IO_floatValue(fileContent(l+1+i),chunkPos,j+1)
|
||||
enddo
|
||||
|
|
@ -650,11 +647,11 @@ function inputRead_connectivityElem(nElem,nNodes,fileContent)
|
|||
j = 0
|
||||
do i = 1,nElem
|
||||
chunkPos = IO_stringPos(fileContent(l+1+i+j))
|
||||
e = mesh_FEasCP('elem',IO_intValue(fileContent(l+1+i+j),chunkPos,1))
|
||||
e = mesh_FEM2DAMASK_elem(IO_intValue(fileContent(l+1+i+j),chunkPos,1))
|
||||
if (e /= 0) then ! disregard non CP elems
|
||||
do k = 1,chunkPos(1)-2
|
||||
inputRead_connectivityElem(k,e) = &
|
||||
mesh_FEasCP('node',IO_IntValue(fileContent(l+1+i+j),chunkPos,k+2))
|
||||
mesh_FEM2DAMASK_node(IO_IntValue(fileContent(l+1+i+j),chunkPos,k+2))
|
||||
enddo
|
||||
nNodesAlreadyRead = chunkPos(1) - 2
|
||||
do while(nNodesAlreadyRead < nNodes) ! read on if not all nodes in one line
|
||||
|
|
@ -662,7 +659,7 @@ function inputRead_connectivityElem(nElem,nNodes,fileContent)
|
|||
chunkPos = IO_stringPos(fileContent(l+1+i+j))
|
||||
do k = 1,chunkPos(1)
|
||||
inputRead_connectivityElem(nNodesAlreadyRead+k,e) = &
|
||||
mesh_FEasCP('node',IO_IntValue(fileContent(l+1+i+j),chunkPos,k))
|
||||
mesh_FEM2DAMASK_node(IO_IntValue(fileContent(l+1+i+j),chunkPos,k))
|
||||
enddo
|
||||
nNodesAlreadyRead = nNodesAlreadyRead + chunkPos(1)
|
||||
enddo
|
||||
|
|
@ -717,7 +714,7 @@ subroutine inputRead_microstructureAndHomogenization(microstructureAt,homogeniza
|
|||
if (initialcondTableStyle == 2) m = m + 2
|
||||
contInts = continuousIntValues(fileContent(l+k+m+1:),nElem,nameElemSet,mapElemSet,size(nameElemSet)) ! get affected elements
|
||||
do i = 1,contInts(1)
|
||||
e = mesh_FEasCP('elem',contInts(1+i))
|
||||
e = mesh_FEM2DAMASK_elem(contInts(1+i))
|
||||
if (sv == 2) microstructureAt(e) = myVal
|
||||
if (sv == 3) homogenizationAt(e) = myVal
|
||||
enddo
|
||||
|
|
@ -1050,53 +1047,6 @@ function IPareaNormal(elem,nElem,connectivity,node)
|
|||
end function IPareaNormal
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief Gives the FE to CP ID mapping by binary search through lookup array
|
||||
!! valid questions (what) are 'elem', 'node'
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
integer function mesh_FEasCP(what,myID)
|
||||
|
||||
character(len=*), intent(in) :: what
|
||||
integer, intent(in) :: myID
|
||||
|
||||
integer, dimension(:,:), pointer :: lookupMap
|
||||
integer :: lower,upper,center
|
||||
|
||||
mesh_FEasCP = 0
|
||||
select case(IO_lc(what(1:4)))
|
||||
case('elem')
|
||||
lookupMap => mesh_mapFEtoCPelem
|
||||
case('node')
|
||||
lookupMap => mesh_mapFEtoCPnode
|
||||
case default
|
||||
return
|
||||
endselect
|
||||
|
||||
lower = 1
|
||||
upper = int(size(lookupMap,2),pInt)
|
||||
|
||||
if (lookupMap(1,lower) == myID) then ! check at bounds QUESTION is it valid to extend bounds by 1 and just do binary search w/o init check at bounds?
|
||||
mesh_FEasCP = lookupMap(2,lower)
|
||||
return
|
||||
elseif (lookupMap(1,upper) == myID) then
|
||||
mesh_FEasCP = lookupMap(2,upper)
|
||||
return
|
||||
endif
|
||||
binarySearch: do while (upper-lower > 1)
|
||||
center = (lower+upper)/2
|
||||
if (lookupMap(1,center) < myID) then
|
||||
lower = center
|
||||
elseif (lookupMap(1,center) > myID) then
|
||||
upper = center
|
||||
else
|
||||
mesh_FEasCP = lookupMap(2,center)
|
||||
exit
|
||||
endif
|
||||
enddo binarySearch
|
||||
|
||||
end function mesh_FEasCP
|
||||
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief return integer list corresponding to items in consecutive lines.
|
||||
!! First integer in array is counter
|
||||
|
|
|
|||
|
|
@ -608,13 +608,13 @@ function om2ax(om) result(ax)
|
|||
ax(1:3) = [ 0.0_pReal, 0.0_pReal, 1.0_pReal ]
|
||||
else
|
||||
call dgeev('N','V',3,om_,3,Wr,Wi,devNull,3,VR,3,work,size(work,1),ierr)
|
||||
if (ierr /= 0) call IO_error(0,ext_msg='Error in om2ax: DGEEV return not zero')
|
||||
if (ierr /= 0) call IO_error(401,ext_msg='Error in om2ax: DGEEV return not zero')
|
||||
#if defined(__GFORTRAN__) && __GNUC__<9 || defined(__INTEL_COMPILER) && INTEL_COMPILER<1800 || defined(__PGI)
|
||||
i = maxloc(merge(1,0,cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal)),dim=1)
|
||||
#else
|
||||
i = findloc(cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal),.true.,dim=1) !find eigenvalue (1,0)
|
||||
#endif
|
||||
if (i == 0) call IO_error(0,ext_msg='Error in om2ax Real: eigenvalue not found')
|
||||
if (i == 0) call IO_error(401,ext_msg='Error in om2ax Real: eigenvalue not found')
|
||||
ax(1:3) = VR(1:3,i)
|
||||
where ( dNeq0([om(2,3)-om(3,2), om(3,1)-om(1,3), om(1,2)-om(2,1)])) &
|
||||
ax(1:3) = sign(ax(1:3),-P *[om(2,3)-om(3,2), om(3,1)-om(1,3), om(1,2)-om(2,1)])
|
||||
|
|
|
|||
Loading…
Reference in New Issue