From 4ac12d1dc5705739ec307240ff3ccf3ea9992064 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 10:11:26 +0200 Subject: [PATCH 1/5] removed hybridIA --- .gitlab-ci.yml | 7 -- src/IO.f90 | 220 ----------------------------------------------- src/material.f90 | 88 ++++++++----------- 3 files changed, 34 insertions(+), 281 deletions(-) diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index 7e8de3ee4..bbc0a2086 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -333,13 +333,6 @@ Phenopowerlaw_singleSlip: - master - release -HybridIA: - stage: spectral - script: HybridIA/test.py - except: - - master - - release - TextureComponents: stage: spectral script: TextureComponents/test.py diff --git a/src/IO.f90 b/src/IO.f90 index a08f96439..a76959a44 100644 --- a/src/IO.f90 +++ b/src/IO.f90 @@ -33,7 +33,6 @@ module IO IO_write_jobIntFile, & IO_read_realFile, & IO_read_intFile, & - IO_hybridIA, & IO_isBlank, & IO_getTag, & IO_stringPos, & @@ -583,223 +582,6 @@ logical function IO_abaqus_hasNoPart(fileUnit) 620 end function IO_abaqus_hasNoPart #endif -!-------------------------------------------------------------------------------------------------- -!> @brief hybrid IA sampling of ODFfile -!-------------------------------------------------------------------------------------------------- -function IO_hybridIA(Nast,ODFfileName) - use prec, only: & - tol_math_check - - implicit none - integer(pInt), intent(in) :: Nast !< number of samples? - real(pReal), dimension(3,Nast) :: IO_hybridIA - character(len=*), intent(in) :: ODFfileName !< name of ODF file including total path - -!-------------------------------------------------------------------------------------------------- -! math module is not available - real(pReal), parameter :: PI = 3.141592653589793_pReal - real(pReal), parameter :: INRAD = PI/180.0_pReal - - integer(pInt) :: i,j,bin,NnonZero,Nset,Nreps,reps,phi1,Phi,phi2 - integer(pInt), allocatable, dimension(:) :: chunkPos - integer(pInt), dimension(3) :: steps !< number of steps in phi1, Phi, and phi2 direction - integer(pInt), dimension(4) :: columns !< columns in linearODF file where eulerangles and density are located - integer(pInt), dimension(:), allocatable :: binSet - real(pReal) :: center,sum_dV_V,prob,dg_0,C,lowerC,upperC,rnd - real(pReal), dimension(2,3) :: limits !< starting and end values for eulerangles - real(pReal), dimension(3) :: deltas, & !< angular step size in phi1, Phi, and phi2 direction - eulers !< euler angles when reading from file - real(pReal), dimension(:,:,:), allocatable :: dV_V - character(len=65536) :: line, keyword - integer(pInt) :: headerLength - integer(pInt), parameter :: FILEUNIT = 999_pInt - - IO_hybridIA = 0.0_pReal ! initialize return value for case of error - write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName) - write(6,'(/,a)') ' Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008' - write(6,'(a)') ' https://doi.org/10.1016/j.commatsci.2007.09.015' - - -!-------------------------------------------------------------------------------------------------- -! parse header of ODF file - call IO_open_file(FILEUNIT,ODFfileName) - headerLength = 0_pInt - line=IO_read(FILEUNIT) - chunkPos = IO_stringPos(line) - keyword = IO_lc(IO_StringValue(line,chunkPos,2_pInt,.true.)) - if (keyword(1:4) == 'head') then - headerLength = IO_intValue(line,chunkPos,1_pInt) + 1_pInt - else - call IO_error(error_ID=156_pInt, ext_msg='no header found') - endif - -!-------------------------------------------------------------------------------------------------- -! figure out columns containing data - do i = 1_pInt, headerLength-1_pInt - line=IO_read(FILEUNIT) - enddo - columns = 0_pInt - chunkPos = IO_stringPos(line) - do i = 1_pInt, chunkPos(1) - select case ( IO_lc(IO_StringValue(line,chunkPos,i,.true.)) ) - case ('phi1') - columns(1) = i - case ('phi') - columns(2) = i - case ('phi2') - columns(3) = i - case ('intensity') - columns(4) = i - end select - enddo - - if (any(columns<1)) call IO_error(error_ID = 156_pInt, ext_msg='could not find expected header') - -!-------------------------------------------------------------------------------------------------- -! determine limits, number of steps and step size - limits(1,1:3) = 721.0_pReal - limits(2,1:3) = -1.0_pReal - steps = 0_pInt - - line=IO_read(FILEUNIT) - do while (trim(line) /= IO_EOF) - chunkPos = IO_stringPos(line) - eulers=[IO_floatValue(line,chunkPos,columns(1)),& - IO_floatValue(line,chunkPos,columns(2)),& - IO_floatValue(line,chunkPos,columns(3))] - steps = steps + merge(1,0,eulers>limits(2,1:3)) - limits(1,1:3) = min(limits(1,1:3),eulers) - limits(2,1:3) = max(limits(2,1:3),eulers) - line=IO_read(FILEUNIT) - enddo - - deltas = (limits(2,1:3)-limits(1,1:3))/real(steps-1_pInt,pReal) - - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Starting angles / ° = ',limits(1,1:3) - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Ending angles / ° = ',limits(2,1:3) - write(6,'(/,a,/,3(2x,f12.4,1x))',advance='no') ' Angular steps / ° = ',deltas - - if (all(abs(limits(1,1:3)) < tol_math_check)) then - write(6,'(/,a,/)',advance='no') ' assuming vertex centered data' - center = 0.0_pReal ! no need to shift - if (any(mod(int(limits(2,1:3),pInt),90)==0)) & - call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data repeated at right boundary') - else - write(6,'(/,a,/)',advance='no') ' assuming cell centered data' - center = 0.5_pReal ! shift data by half of a bin - endif - - limits = limits*INRAD - deltas = deltas*INRAD - -!-------------------------------------------------------------------------------------------------- -! read in data - allocate(dV_V(steps(3),steps(2),steps(1)),source=0.0_pReal) - sum_dV_V = 0.0_pReal - dg_0 = deltas(1)*deltas(3)*2.0_pReal*sin(deltas(2)/2.0_pReal) - NnonZero = 0_pInt - - call IO_checkAndRewind(FILEUNIT) ! forward - do i = 1_pInt, headerLength - line=IO_read(FILEUNIT) - enddo - - do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2); do phi2=1_pInt,steps(3) - line=IO_read(FILEUNIT) - chunkPos = IO_stringPos(line) - eulers=[IO_floatValue(line,chunkPos,columns(1)),& ! read in again for consistency check only - IO_floatValue(line,chunkPos,columns(2)),& - IO_floatValue(line,chunkPos,columns(3))]*INRAD - if (any(abs((real([phi1,phi,phi2],pReal) -1.0_pReal + center)*deltas-eulers)>tol_math_check)) & ! check if data is in expected order (phi2 fast) and correct for Fortran starting at 1 - call IO_error(error_ID = 156_pInt, ext_msg='linear ODF data not in expected order') - - prob = IO_floatValue(line,chunkPos,columns(4)) - if (prob > 0.0_pReal) then - NnonZero = NnonZero+1_pInt - sum_dV_V = sum_dV_V+prob - else - prob = 0.0_pReal - endif - dV_V(phi2,Phi,phi1) = prob*dg_0*sin((real(Phi-1_pInt,pReal)+center)*deltas(2)) - enddo; enddo; enddo - close(FILEUNIT) - dV_V = dV_V/sum_dV_V ! normalize to 1 - -!-------------------------------------------------------------------------------------------------- -! now fix bounds - Nset = max(Nast,NnonZero) ! if less than non-zero voxel count requested, sample at least that much - lowerC = 0.0_pReal - upperC = real(Nset, pReal) - - do while (hybridIA_reps(dV_V,steps,upperC) < Nset) - lowerC = upperC - upperC = upperC*2.0_pReal - enddo - -!-------------------------------------------------------------------------------------------------- -! binary search for best C - do - C = (upperC+lowerC)/2.0_pReal - Nreps = hybridIA_reps(dV_V,steps,C) - if (abs(upperC-lowerC) < upperC*1.0e-14_pReal) then - C = upperC - Nreps = hybridIA_reps(dV_V,steps,C) - exit - elseif (Nreps < Nset) then - lowerC = C - elseif (Nreps > Nset) then - upperC = C - else - exit - endif - enddo - - allocate(binSet(Nreps)) - bin = 0_pInt ! bin counter - i = 1_pInt ! set counter - do phi1=1_pInt,steps(1); do Phi=1_pInt,steps(2) ;do phi2=1_pInt,steps(3) - reps = nint(C*dV_V(phi2,Phi,phi1), pInt) - binSet(i:i+reps-1) = bin - bin = bin+1_pInt ! advance bin - i = i+reps ! advance set - enddo; enddo; enddo - - do i=1_pInt,Nast - if (i < Nast) then - call random_number(rnd) - j = nint(rnd*real(Nreps-i,pReal)+real(i,pReal)+0.5_pReal,pInt) - else - j = i - endif - bin = binSet(j) - IO_hybridIA(1,i) = deltas(1)*(real(mod(bin/(steps(3)*steps(2)),steps(1)),pReal)+center) ! phi1 - IO_hybridIA(2,i) = deltas(2)*(real(mod(bin/ steps(3) ,steps(2)),pReal)+center) ! Phi - IO_hybridIA(3,i) = deltas(3)*(real(mod(bin ,steps(3)),pReal)+center) ! phi2 - binSet(j) = binSet(i) - enddo - - contains - !-------------------------------------------------------------------------------------------------- - !> @brief counts hybrid IA repetitions - !-------------------------------------------------------------------------------------------------- - integer(pInt) pure function hybridIA_reps(dV_V,steps,C) - - implicit none - integer(pInt), intent(in), dimension(3) :: steps !< number of bins in Euler space - real(pReal), intent(in), dimension(steps(3),steps(2),steps(1)) :: dV_V !< needs description - real(pReal), intent(in) :: C !< needs description - - integer(pInt) :: phi1,Phi,phi2 - - hybridIA_reps = 0_pInt - do phi1=1_pInt,steps(1); do Phi =1_pInt,steps(2); do phi2=1_pInt,steps(3) - hybridIA_reps = hybridIA_reps+nint(C*dV_V(phi2,Phi,phi1), pInt) - enddo; enddo; enddo - - end function hybridIA_reps - -end function IO_hybridIA - !-------------------------------------------------------------------------------------------------- !> @brief identifies strings without content @@ -1758,7 +1540,6 @@ integer(pInt) function IO_verifyIntValue (string,validChars,myName) validChars, & !< valid characters in string myName !< name of caller function (for debugging) integer(pInt) :: readStatus, invalidWhere - !character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1 IO_verifyIntValue = 0_pInt @@ -1788,7 +1569,6 @@ real(pReal) function IO_verifyFloatValue (string,validChars,myName) myName !< name of caller function (for debugging) integer(pInt) :: readStatus, invalidWhere - !character(len=len(trim(string))) :: trimmed does not work with ifort 14.0.1 IO_verifyFloatValue = 0.0_pReal diff --git a/src/material.f90 b/src/material.f90 index d54659acc..7e7932a4f 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -227,10 +227,6 @@ module material microstructure_elemhomo, & !< flag to indicate homogeneous microstructure distribution over element's IPs phase_localPlasticity !< flags phases with local constitutive law - - character(len=65536), dimension(:), allocatable, private :: & - texture_ODFfile !< name of each ODF file - integer(pInt), private :: & microstructure_maxNconstituents, & !< max number of constituents in any phase texture_maxNgauss, & !< max number of Gauss components in any texture @@ -367,7 +363,6 @@ subroutine material_init() use mesh, only: & mesh_homogenizationAt, & mesh_NipsPerElem, & - mesh_maxNips, & mesh_NcpElems, & FE_geomtype @@ -472,11 +467,11 @@ subroutine material_init() call material_populateGrains - allocate(phaseAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt) - allocate(phasememberAt ( homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0_pInt) - allocate(mappingHomogenization (2, mesh_maxNips,mesh_NcpElems),source=0_pInt) + allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) + allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) + allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt) - allocate(mappingHomogenizationConst( mesh_maxNips,mesh_NcpElems),source=1_pInt) + allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt) allocate(ConstitutivePosition (size(config_phase)), source=0_pInt) allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt) @@ -936,9 +931,7 @@ subroutine material_parseTexture integer(pInt) :: section, gauss, fiber, j, t, i character(len=65536), dimension(:), allocatable :: strings ! Values for given key in material config integer(pInt), dimension(:), allocatable :: chunkPos - character(len=65536) :: tag - allocate(texture_ODFfile(size(config_texture))); texture_ODFfile='' allocate(texture_symmetry(size(config_texture)), source=1_pInt) allocate(texture_Ngauss(size(config_texture)), source=0_pInt) allocate(texture_Nfiber(size(config_texture)), source=0_pInt) @@ -984,9 +977,6 @@ subroutine material_parseTexture if(dNeq(math_det33(texture_transformation(1:3,1:3,t)),1.0_pReal)) call IO_error(157_pInt,t) endif - tag='' - texture_ODFfile(t) = config_texture(t)%getString('hybridia',defaultVal=tag) - if (config_texture(t)%keyExists('symmetry')) then select case (config_texture(t)%getString('symmetry')) case('orthotropic') @@ -1072,7 +1062,7 @@ end subroutine material_parseTexture !-------------------------------------------------------------------------------------------------- !> @brief populates the grains !> @details populates the grains by identifying active microstructure/homogenization pairs, -!! calculates the volume of the grains and deals with texture components and hybridIA +!! calculates the volume of the grains and deals with texture components !-------------------------------------------------------------------------------------------------- subroutine material_populateGrains use prec, only: & @@ -1091,7 +1081,6 @@ subroutine material_populateGrains mesh_elemType, & mesh_homogenizationAt, & mesh_microstructureAt, & - mesh_maxNips, & mesh_NcpElems, & mesh_ipVolume, & FE_geomtype @@ -1102,8 +1091,7 @@ subroutine material_populateGrains homogenization_name, & microstructure_name use IO, only: & - IO_error, & - IO_hybridIA + IO_error use debug, only: & debug_level, & debug_material, & @@ -1131,12 +1119,12 @@ subroutine material_populateGrains myDebug = debug_level(debug_material) - allocate(material_volume(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0.0_pReal) - allocate(material_phase(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt) - allocate(material_homog(mesh_maxNips,mesh_NcpElems), source=0_pInt) + allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal) + allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) + allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_homogenizationAt,source=mesh_homogenizationAt) - allocate(material_texture(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems), source=0_pInt) - allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems),source=0.0_pReal) + allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) + allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal) allocate(Ngrains(size(config_homogenization),size(config_microstructure)), source=0_pInt) allocate(Nelems (size(config_homogenization),size(config_microstructure)), source=0_pInt) @@ -1280,39 +1268,31 @@ subroutine material_populateGrains real(texture_symmetry(textureID),pReal),pInt) ! max number of unique orientations (excl. symmetry) !-------------------------------------------------------------------------------------------------- -! ...has texture components - if (texture_ODFfile(textureID) == '') then - gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components - do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count - orientationOfGrain(:,grain+constituentGrain+g) = & - math_sampleGaussOri(texture_Gauss(1:3,t,textureID),& - texture_Gauss( 4,t,textureID)) - enddo - constituentGrain = & - constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent - enddo gauss +! has texture components + gauss: do t = 1_pInt,texture_Ngauss(textureID) ! loop over Gauss components + do g = 1_pInt,int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID),pInt) ! loop over required grain count + orientationOfGrain(:,grain+constituentGrain+g) = & + math_sampleGaussOri(texture_Gauss(1:3,t,textureID),& + texture_Gauss( 4,t,textureID)) + enddo + constituentGrain = & + constituentGrain + int(real(myNorientations,pReal)*texture_Gauss(5,t,textureID)) ! advance counter for grains of current constituent + enddo gauss - fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components - do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count - orientationOfGrain(:,grain+constituentGrain+g) = & - math_sampleFiberOri(texture_Fiber(1:2,t,textureID),& - texture_Fiber(3:4,t,textureID),& - texture_Fiber( 5,t,textureID)) - enddo - constituentGrain = & - constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent - enddo fiber + fiber: do t = 1_pInt,texture_Nfiber(textureID) ! loop over fiber components + do g = 1_pInt,int(real(myNorientations,pReal)*texture_Fiber(6,t,textureID),pInt) ! loop over required grain count + orientationOfGrain(:,grain+constituentGrain+g) = & + math_sampleFiberOri(texture_Fiber(1:2,t,textureID),& + texture_Fiber(3:4,t,textureID),& + texture_Fiber( 5,t,textureID)) + enddo + constituentGrain = & + constituentGrain + int(real(myNorientations,pReal)*texture_fiber(6,t,textureID),pInt) ! advance counter for grains of current constituent + enddo fiber - random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random - orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri() - enddo random -!-------------------------------------------------------------------------------------------------- -! ...has hybrid IA - else - orientationOfGrain(1:3,grain+1_pInt:grain+myNorientations) = & - IO_hybridIA(myNorientations,texture_ODFfile(textureID)) - if (all(dEq(orientationOfGrain(1:3,grain+1_pInt),-1.0_pReal))) call IO_error(156_pInt) - endif + random: do constituentGrain = constituentGrain+1_pInt,myNorientations ! fill remainder with random + orientationOfGrain(:,grain+constituentGrain) = math_sampleRandomOri() + enddo random !-------------------------------------------------------------------------------------------------- ! ...texture transformation From 943fa764c07c265653021a2f55f7a28405d4bd09 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 11:15:07 +0200 Subject: [PATCH 2/5] not needed --- src/material.f90 | 5 ----- 1 file changed, 5 deletions(-) diff --git a/src/material.f90 b/src/material.f90 index 7e7932a4f..c4ed54ddb 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -1409,12 +1409,7 @@ subroutine material_populateGrains enddo microstructureLoop enddo homogenizationLoop - deallocate(volumeOfGrain) - deallocate(phaseOfGrain) - deallocate(textureOfGrain) - deallocate(orientationOfGrain) deallocate(texture_transformation) - deallocate(Nelems) deallocate(elemsOfHomogMicro) call config_deallocate('material.config/microstructure') From 1839228add4d00a3d5aa7c39a73f5afe6d09469a Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 12:27:42 +0200 Subject: [PATCH 3/5] sorting new mappings. Needs more work (don't forget https://xkcd.com/927) --- src/material.f90 | 82 ++++++++++++++++++++++++++++-------------------- 1 file changed, 48 insertions(+), 34 deletions(-) diff --git a/src/material.f90 b/src/material.f90 index c4ed54ddb..1dc5b7a7a 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -169,18 +169,13 @@ module material homogenization_maxNgrains !< max number of grains in any USED homogenization integer(pInt), dimension(:), allocatable, public, protected :: & - material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt) phase_Nsources, & !< number of source mechanisms active in each phase phase_Nkinematics, & !< number of kinematic mechanisms active in each phase phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase phase_Noutput, & !< number of '(output)' items per phase phase_elasticityInstance, & !< instance of particular elasticity of each phase - phase_plasticityInstance !< instance of particular plasticity of each phase - - integer(pInt), dimension(:), allocatable, public, protected :: & - crystallite_Noutput !< number of '(output)' items per crystallite setting - - integer(pInt), dimension(:), allocatable, public, protected :: & + phase_plasticityInstance, & !< instance of particular plasticity of each phase + crystallite_Noutput, & !< number of '(output)' items per crystallite setting homogenization_Ngrains, & !< number of grains in each homogenization homogenization_Noutput, & !< number of '(output)' items per homogenization homogenization_typeInstance, & !< instance of particular type of each homogenization @@ -189,7 +184,7 @@ module material vacancyflux_typeInstance, & !< instance of particular type of each vacancy flux porosity_typeInstance, & !< instance of particular type of each porosity model hydrogenflux_typeInstance, & !< instance of particular type of each hydrogen flux - microstructure_crystallite !< crystallite setting ID of each microstructure + microstructure_crystallite !< crystallite setting ID of each microstructure ! DEPRECATED !!!! real(pReal), dimension(:), allocatable, public, protected :: & thermal_initialT, & !< initial temperature per each homogenization @@ -198,12 +193,27 @@ module material porosity_initialPhi, & !< initial posority per each homogenization hydrogenflux_initialCh !< initial hydrogen concentration per each homogenization +! NEW MAPPINGS + integer(pInt), dimension(:), allocatable, public, protected :: & + material_homogenizationAt, & !< homogenization ID of each element (copy of mesh_homogenizationAt) + material_homogenizationMemberAt, & !< position of the element within its homogenization instance + material_aggregateAt, & !< aggregate ID of each element FUTURE USE FOR OUTPUT + material_aggregatMemberAt !< position of the element within its aggregate instance FUTURE USE FOR OUTPUT + integer(pInt), dimension(:,:), allocatable, public, protected :: & + material_phaseAt, & !< phase ID of each element + material_phaseMemberAt, & !< position of the element within its phase instance + material_crystalliteAt, & !< crystallite ID of each element CURRENTLY NOT PER CONSTITUTENT + material_crystalliteMemberAt !< position of the element within its crystallite instance CURRENTLY NOT PER CONSTITUTENT +! END NEW MAPPINGS + +! DEPRECATED: use material_phaseAt integer(pInt), dimension(:,:,:), allocatable, public :: & material_phase !< phase (index) of each grain,IP,element -! BEGIN DEPRECATED: use material_homogenizationAt +! DEPRECATED: use material_homogenizationAt integer(pInt), dimension(:,:), allocatable, public :: & material_homog !< homogenization (index) of each IP,element ! END DEPRECATED + type(tPlasticState), allocatable, dimension(:), public :: & plasticState type(tSourceState), allocatable, dimension(:), public :: & @@ -254,11 +264,13 @@ module material logical, dimension(:), allocatable, private :: & homogenization_active +! BEGIN DEPRECATED integer(pInt), dimension(:,:,:), allocatable, public :: phaseAt !< phase ID of every material point (ipc,ip,el) integer(pInt), dimension(:,:,:), allocatable, public :: phasememberAt !< memberID of given phase at every material point (ipc,ip,el) - integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingCrystallite + integer(pInt), dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field - integer(pInt), dimension(:,:), allocatable, public, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field + integer(pInt), dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field +! END DEPRECATED type(tHomogMapping), allocatable, dimension(:), public :: & thermalMapping, & !< mapping for thermal state/fields @@ -372,11 +384,11 @@ subroutine material_init() integer(pInt) :: & g, & !< grain number i, & !< integration point number - e, & !< element number - phase - integer(pInt), dimension(:), allocatable :: ConstitutivePosition - integer(pInt), dimension(:), allocatable :: CrystallitePosition - integer(pInt), dimension(:), allocatable :: HomogenizationPosition + e !< element number + integer(pInt), dimension(:), allocatable :: & + PhaseCounter, & + CrystalliteCounter, & + HomogenizationCounter myDebug = debug_level(debug_material) @@ -467,30 +479,33 @@ subroutine material_init() call material_populateGrains +! BEGIN DEPRECATED allocate(phaseAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(phasememberAt ( homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) allocate(mappingHomogenization (2, mesh_nIPsPerElem,mesh_NcpElems),source=0_pInt) - allocate(mappingCrystallite (2,homogenization_maxNgrains, mesh_NcpElems),source=0_pInt) allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt) +! END DEPRECATED - allocate(ConstitutivePosition (size(config_phase)), source=0_pInt) - allocate(HomogenizationPosition(size(config_homogenization)),source=0_pInt) - allocate(CrystallitePosition (size(config_phase)), source=0_pInt) + allocate(PhaseCounter (size(config_phase)), source=0_pInt) + allocate(HomogenizationCounter(size(config_homogenization)),source=0_pInt) - ElemLoop:do e = 1_pInt,mesh_NcpElems +! BEGIN DEPRECATED + do e = 1_pInt,mesh_NcpElems myHomog = mesh_homogenizationAt(e) - IPloop:do i = 1_pInt, mesh_NipsPerElem - HomogenizationPosition(myHomog) = HomogenizationPosition(myHomog) + 1_pInt - mappingHomogenization(1:2,i,e) = [HomogenizationPosition(myHomog),myHomog] - GrainLoop:do g = 1_pInt,homogenization_Ngrains(myHomog) - phase = material_phase(g,i,e) - ConstitutivePosition(phase) = ConstitutivePosition(phase)+1_pInt ! not distinguishing between instances of same phase - phaseAt(g,i,e) = phase - phasememberAt(g,i,e) = ConstitutivePosition(phase) - enddo GrainLoop - enddo IPloop - enddo ElemLoop + do i = 1_pInt, mesh_NipsPerElem + HomogenizationCounter(myHomog) = HomogenizationCounter(myHomog) + 1_pInt + mappingHomogenization(1:2,i,e) = [HomogenizationCounter(myHomog),myHomog] + do g = 1_pInt,homogenization_Ngrains(myHomog) + myPhase = material_phase(g,i,e) + PhaseCounter(myPhase) = PhaseCounter(myPhase)+1_pInt ! not distinguishing between instances of same phase + phaseAt(g,i,e) = myPhase + phasememberAt(g,i,e) = PhaseCounter(myPhase) + enddo + enddo + enddo +! END DEPRECATED +! REMOVE !!!!! ! hack needed to initialize field values used during constitutive and crystallite initializations do myHomog = 1,size(config_homogenization) thermalMapping (myHomog)%p => mappingHomogenizationConst @@ -507,7 +522,7 @@ subroutine material_init() allocate(vacancyConcRate (myHomog)%p(1), source=0.0_pReal) allocate(hydrogenConcRate(myHomog)%p(1), source=0.0_pReal) enddo - + end subroutine material_init @@ -1122,7 +1137,6 @@ subroutine material_populateGrains allocate(material_volume(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0.0_pReal) allocate(material_phase(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_homog(mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) - allocate(material_homogenizationAt,source=mesh_homogenizationAt) allocate(material_texture(homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems), source=0_pInt) allocate(material_EulerAngles(3,homogenization_maxNgrains,mesh_nIPsPerElem,mesh_NcpElems),source=0.0_pReal) From d662507eb81a571180f9c345e98213928566382c Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Sun, 14 Oct 2018 21:41:32 +0200 Subject: [PATCH 4/5] will not work without populate grains --- .gitlab-ci.yml | 8 - examples/AbaqusStandard/Job_sx-px.inp | 2832 ----------------- examples/AbaqusStandard/SX_PX_compression.cae | Bin 114688 -> 0 bytes examples/AbaqusStandard/SX_PX_compression.jnl | 23 - examples/AbaqusStandard/material.config | 93 - examples/AbaqusStandard/numerics.config | 1 - 6 files changed, 2957 deletions(-) delete mode 100644 examples/AbaqusStandard/Job_sx-px.inp delete mode 100644 examples/AbaqusStandard/SX_PX_compression.cae delete mode 100644 examples/AbaqusStandard/SX_PX_compression.jnl delete mode 100644 examples/AbaqusStandard/material.config delete mode 100644 examples/AbaqusStandard/numerics.config diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml index bbc0a2086..62cddcba6 100644 --- a/.gitlab-ci.yml +++ b/.gitlab-ci.yml @@ -405,14 +405,6 @@ SpectralExample: only: - development -AbaqusExample: - stage: example - script: - - module load $IntelCompiler16_4 $Abaqus - - Abaqus_example/test.py - only: - - development - ################################################################################################### SpectralRuntime: stage: performance diff --git a/examples/AbaqusStandard/Job_sx-px.inp b/examples/AbaqusStandard/Job_sx-px.inp deleted file mode 100644 index 12890dfdc..000000000 --- a/examples/AbaqusStandard/Job_sx-px.inp +++ /dev/null @@ -1,2832 +0,0 @@ -*Heading - stauchen -** Job name: Job_sx-px Model name: Model-1 -** Generated by: Abaqus/CAE 6.9-1 -*Preprint, echo=NO, model=NO, history=NO, contact=NO -** ---------------------------------------------------------------- -** -** PART INSTANCE: Part-sx -** -*Node - 1, 4.79746485, 1.4086628, 0. - 2, 4.20626783, 2.70320415, 0. - 3, 3.27430367, 3.7787478, 0. - 4, 2.077075, 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1491, 1424, 1423, 1389, 1426 -1081, 1443, 1442, 1457, 1456, 1378, 1377, 1392, 1391 -1082, 1442, 1441, 1458, 1457, 1377, 1376, 1393, 1392 -1083, 1441, 1440, 1459, 1458, 1376, 1375, 1394, 1393 -1084, 1440, 1439, 1460, 1459, 1375, 1374, 1395, 1394 -1085, 1439, 1438, 1461, 1460, 1374, 1373, 1396, 1395 -1086, 1438, 1437, 1487, 1461, 1373, 1372, 1422, 1396 -1087, 1464, 1463, 1435, 1434, 1399, 1398, 1370, 1369 -1088, 1434, 1433, 1467, 1464, 1369, 1368, 1402, 1399 -1089, 1433, 1432, 1468, 1467, 1368, 1367, 1403, 1402 -1090, 1471, 1451, 1450, 1465, 1406, 1386, 1385, 1400 -1091, 1465, 1479, 1485, 1478, 1400, 1414, 1420, 1413 -1092, 1483, 1474, 1473, 1482, 1418, 1409, 1408, 1417 -1093, 1432, 1431, 1469, 1468, 1367, 1366, 1404, 1403 -1094, 1481, 1492, 1478, 1485, 1416, 1427, 1413, 1420 -1095, 1482, 1495, 1484, 1483, 1417, 1430, 1419, 1418 -1096, 1471, 1470, 1452, 1451, 1406, 1405, 1387, 1386 -1097, 1454, 1455, 1494, 1475, 1389, 1390, 1429, 1410 -1098, 1473, 1474, 1457, 1458, 1408, 1409, 1392, 1393 -1099, 1494, 1455, 1474, 1483, 1429, 1390, 1409, 1418 -1100, 1475, 1479, 1453, 1490, 1410, 1414, 1388, 1425 -1101, 1477, 1464, 1467, 1480, 1412, 1399, 1402, 1415 -1102, 1480, 1467, 1468, 1481, 1415, 1402, 1403, 1416 -1103, 1468, 1469, 1492, 1481, 1403, 1404, 1427, 1416 -1104, 1465, 1478, 1470, 1471, 1400, 1413, 1405, 1406 -1105, 1479, 1475, 1494, 1485, 1414, 1410, 1429, 1420 -1106, 1470, 1478, 1492, 1469, 1405, 1413, 1427, 1404 -1107, 1484, 1485, 1494, 1483, 1419, 1420, 1429, 1418 -1108, 1480, 1481, 1485, 1484, 1415, 1416, 1420, 1419 -1109, 1487, 1486, 1462, 1472, 1422, 1421, 1397, 1407 -1110, 1437, 1436, 1486, 1487, 1372, 1371, 1421, 1422 -1111, 1488, 1489, 1445, 1444, 1423, 1424, 1380, 1379 -1112, 1490, 1447, 1446, 1491, 1425, 1382, 1381, 1426 -1113, 1495, 1482, 1476, 1477, 1430, 1417, 1411, 1412 -1114, 1512, 1555, 1518, 1513, 1447, 1490, 1453, 1448 -1115, 1510, 1554, 1556, 1511, 1445, 1489, 1491, 1446 -1116, 1520, 1519, 1553, 1521, 1455, 1454, 1488, 1456 -1117, 1531, 1530, 1515, 1514, 1466, 1465, 1450, 1449 -1118, 1535, 1534, 1496, 1517, 1470, 1469, 1431, 1452 -1119, 1527, 1541, 1558, 1537, 1462, 1476, 1493, 1472 -1120, 1537, 1525, 1526, 1552, 1472, 1460, 1461, 1487 -1121, 1558, 1538, 1523, 1524, 1493, 1473, 1458, 1459 -1122, 1549, 1560, 1542, 1545, 1484, 1495, 1477, 1480 -1123, 1558, 1541, 1547, 1538, 1493, 1476, 1482, 1473 -1124, 1521, 1522, 1539, 1520, 1456, 1457, 1474, 1455 -1125, 1518, 1531, 1514, 1513, 1453, 1466, 1449, 1448 -1126, 1524, 1525, 1537, 1558, 1459, 1460, 1472, 1493 -1127, 1528, 1541, 1527, 1551, 1463, 1476, 1462, 1486 -1128, 1528, 1529, 1542, 1541, 1463, 1464, 1477, 1476 -1129, 1518, 1544, 1530, 1531, 1453, 1479, 1465, 1466 -1130, 1519, 1540, 1555, 1556, 1454, 1475, 1490, 1491 -1131, 1501, 1500, 1528, 1551, 1436, 1435, 1463, 1486 -1132, 1509, 1508, 1521, 1553, 1444, 1443, 1456, 1488 -1133, 1554, 1553, 1519, 1556, 1489, 1488, 1454, 1491 -1134, 1508, 1507, 1522, 1521, 1443, 1442, 1457, 1456 -1135, 1507, 1506, 1523, 1522, 1442, 1441, 1458, 1457 -1136, 1506, 1505, 1524, 1523, 1441, 1440, 1459, 1458 -1137, 1505, 1504, 1525, 1524, 1440, 1439, 1460, 1459 -1138, 1504, 1503, 1526, 1525, 1439, 1438, 1461, 1460 -1139, 1503, 1502, 1552, 1526, 1438, 1437, 1487, 1461 -1140, 1529, 1528, 1500, 1499, 1464, 1463, 1435, 1434 -1141, 1499, 1498, 1532, 1529, 1434, 1433, 1467, 1464 -1142, 1498, 1497, 1533, 1532, 1433, 1432, 1468, 1467 -1143, 1536, 1516, 1515, 1530, 1471, 1451, 1450, 1465 -1144, 1530, 1544, 1550, 1543, 1465, 1479, 1485, 1478 -1145, 1548, 1539, 1538, 1547, 1483, 1474, 1473, 1482 -1146, 1497, 1496, 1534, 1533, 1432, 1431, 1469, 1468 -1147, 1546, 1557, 1543, 1550, 1481, 1492, 1478, 1485 -1148, 1547, 1560, 1549, 1548, 1482, 1495, 1484, 1483 -1149, 1536, 1535, 1517, 1516, 1471, 1470, 1452, 1451 -1150, 1519, 1520, 1559, 1540, 1454, 1455, 1494, 1475 -1151, 1538, 1539, 1522, 1523, 1473, 1474, 1457, 1458 -1152, 1559, 1520, 1539, 1548, 1494, 1455, 1474, 1483 -1153, 1540, 1544, 1518, 1555, 1475, 1479, 1453, 1490 -1154, 1542, 1529, 1532, 1545, 1477, 1464, 1467, 1480 -1155, 1545, 1532, 1533, 1546, 1480, 1467, 1468, 1481 -1156, 1533, 1534, 1557, 1546, 1468, 1469, 1492, 1481 -1157, 1530, 1543, 1535, 1536, 1465, 1478, 1470, 1471 -1158, 1544, 1540, 1559, 1550, 1479, 1475, 1494, 1485 -1159, 1535, 1543, 1557, 1534, 1470, 1478, 1492, 1469 -1160, 1549, 1550, 1559, 1548, 1484, 1485, 1494, 1483 -1161, 1545, 1546, 1550, 1549, 1480, 1481, 1485, 1484 -1162, 1552, 1551, 1527, 1537, 1487, 1486, 1462, 1472 -1163, 1502, 1501, 1551, 1552, 1437, 1436, 1486, 1487 -1164, 1553, 1554, 1510, 1509, 1488, 1489, 1445, 1444 -1165, 1555, 1512, 1511, 1556, 1490, 1447, 1446, 1491 -1166, 1560, 1547, 1541, 1542, 1495, 1482, 1476, 1477 -*Nset, nset=Part-px__PickedSet4, generate - 781, 1560, 1 -*Elset, elset=Part-px__PickedSet4, generate - 584, 1166, 1 -** Section: Section-px -*Solid Section, elset=Part-px__PickedSet4, material=Material-px -, -*System -*Nset, nset=_PickedSet12, generate - 716, 780, 1 -*Nset, nset=_PickedSet12, generate -1496, 1560, 1 -*Elset, elset=_PickedSet12, generate - 531, 583, 1 -*Elset, elset=_PickedSet12, generate -1114, 1166, 1 -*Nset, nset=_PickedSet13, generate - 1, 65, 1 -*Nset, nset=_PickedSet13, generate -781, 845, 1 -*Elset, elset=_PickedSet13, generate - 1, 53, 1 -*Elset, elset=_PickedSet13, generate -584, 636, 1 -** -** MATERIALS -** -*Material, name=Material-px -*Depvar - 49, -*User Material, constants=2, unsymm -2.,2. -*Material, name=Material-sx -*Depvar - 49, -*User Material, constants=2, unsymm -1.,1. -** -** BOUNDARY CONDITIONS -** -** Name: unten Type: Displacement/Rotation -*Boundary -_PickedSet13, 1, 1 -_PickedSet13, 2, 2 -_PickedSet13, 3, 3 -_PickedSet13, 4, 4 -_PickedSet13, 5, 5 -_PickedSet13, 6, 6 -** ---------------------------------------------------------------- -** -** STEP: Step-1 -** -*Step, name=Step-1, nlgeom=YES, inc=10000 -drücken -*Static -0.01, 7., 0.0001, 1. -** -** BOUNDARY CONDITIONS -** -** Name: oben Type: Displacement/Rotation -*Boundary -_PickedSet12, 1, 1 -_PickedSet12, 2, 2 -_PickedSet12, 3, 3, -7.5 -_PickedSet12, 4, 4 -_PickedSet12, 5, 5 -_PickedSet12, 6, 6 -** -** OUTPUT REQUESTS -** -*Restart, write, frequency=0 -** -** FIELD OUTPUT: F-Output-1 -** -*Output, field, variable=PRESELECT -** -** HISTORY OUTPUT: H-Output-1 -** -*Output, history, variable=PRESELECT -*End Step diff --git a/examples/AbaqusStandard/SX_PX_compression.cae b/examples/AbaqusStandard/SX_PX_compression.cae deleted file mode 100644 index fed4472b3e088a975494c6e1261bae5e13c800ac..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 114688 zcmeFY=UWrc7w`=tAflk46lnqqDpl}Hho}fBRY9c_iU=rGkWL~ZpwgwOlt>3bx^xJ= zL+GK0o=`$4fsncnzvuo3?w9uq_nNaibDf#V&S!RN&OCVd?77JUSy_5II=U;Ta_&^} z+8)^bFHA>A|Nn;{z5Ab!j*jtE{-?iiD(t7ic`96|!gnhFu73pn5%@>oAAx@a{t@^` z;2(j11pX2DN8lfUe+2#!_Qb)D!f&2WyeR5UvFI$ke7Q)=der_peLGP2YYw$){@dB4 zxaFj*^y{@t!XjHTjfd*;PENbcjmJcrKd&`l)WILbOnL9u8}mPAe$;zwI;H;yam`Bh zTqt29X!>M`on@SriB_ 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ztzD>Sfj6)10cPcp4nj$(81@E(=3ZK#P3RT(EDzWn2@877b~R)!ZPS42z=DcMZ2Yt# z(B^HZ4E8~WcTib+=THDMmzp9s;+peLubC`B)+71#Y{&fUysa_2&rX@~lUp0Tr}=qX zAB`qG8xs;f6O)~hJ+?OeqelARRS!#+c_ScHasvjKlbivOF+Y;;L?!Lkg({>|Ckxx8An8sc>l=cY-U92y2xJ zeEb&<kqtUV>e|sE17Aw7;cIRelU3N=?OMq*upSB;rWO?XYq^RDs zvwfW3b=m)^(vcrJsB}CWbx&Mh_V?zM%7HzFAJjRn+J}0?=fWN3eI1V3)yCq;OZM -#-------------------# - -[dummy] -mech none - -[poly] -mech isostrain -Nconstituents 10 - - - -#-------------------# - -#-------------------# - - -[Aluminum_001] -crystallite 1 -(constituent) phase 1 texture 1 fraction 1.0 - -[Aluminum_10] -crystallite 1 -(constituent) phase 1 texture 2 fraction 1.0 - -#-------------------# - -#-------------------# - -[orientation] -(output) eulerangles -(output) grainrotation # deviation from initial orientation as axis (1-3) and angle in degree (4) - -#-------------------# - -#-------------------# - - -[Aluminum_phenopowerlaw] -# slip only -elasticity hooke -plasticity phenopowerlaw - -(output) resistance_slip -(output) shearrate_slip -(output) resolvedstress_slip -(output) totalshear -(output) resistance_twin -(output) shearrate_twin -(output) resolvedstress_twin -(output) totalvolfrac - -lattice_structure fcc -Nslip 12 -Ntwin 0 - -c11 106.75e9 -c12 60.41e9 -c44 28.34e9 - -gdot0_slip 0.001 -n_slip 20 -tau0_slip 31e6 # per family -tausat_slip 63e6 # per family -a_slip 2.25 -gdot0_twin 0.001 -n_twin 20 -tau0_twin 31e6 # per family -s_pr 0 # push-up factor for slip saturation due to twinning -twin_b 0 -twin_c 0 -twin_d 0 -twin_e 0 -h0_slipslip 75e6 -h0_sliptwin 0 -h0_twinslip 0 -h0_twintwin 0 -interaction_slipslip 1 1 1.4 1.4 1.4 1.4 -interaction_sliptwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -interaction_twinslip 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -interaction_twintwin 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 -atol_resistance 1 - - -#-------------------# - -#-------------------# - -[001] -(gauss) phi1 0.000 Phi 45.000 phi2 0.000 scatter 0.000 fraction 1.000 - -[random] diff --git a/examples/AbaqusStandard/numerics.config b/examples/AbaqusStandard/numerics.config deleted file mode 100644 index 47091bf7f..000000000 --- a/examples/AbaqusStandard/numerics.config +++ /dev/null @@ -1 +0,0 @@ -fixed_seed 1697667030 From 57ca93c3c9c5e961e5c533cd4e270508ea5be5b4 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Mon, 15 Oct 2018 05:28:52 +0200 Subject: [PATCH 5/5] added missing allocation --- src/material.f90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/material.f90 b/src/material.f90 index 1dc5b7a7a..5538fab3e 100644 --- a/src/material.f90 +++ b/src/material.f90 @@ -486,6 +486,7 @@ subroutine material_init() allocate(mappingHomogenizationConst( mesh_nIPsPerElem,mesh_NcpElems),source=1_pInt) ! END DEPRECATED + allocate(material_homogenizationAt,source=mesh_homogenizationAt) allocate(PhaseCounter (size(config_phase)), source=0_pInt) allocate(HomogenizationCounter(size(config_homogenization)),source=0_pInt)