From 5ac592eb9e331de2988f97946237092882ad5795 Mon Sep 17 00:00:00 2001 From: Martin Diehl Date: Thu, 22 Jul 2021 12:31:10 +0200 Subject: [PATCH] initialize L_(i/p), L_(i,p)0 --- src/mesh/mesh_mech_FEM.f90 | 4 ++-- src/phase_mechanical.f90 | 28 ++++++++++++++-------------- 2 files changed, 16 insertions(+), 16 deletions(-) diff --git a/src/mesh/mesh_mech_FEM.f90 b/src/mesh/mesh_mech_FEM.f90 index 6bcf44c3a..d6d314a42 100644 --- a/src/mesh/mesh_mech_FEM.f90 +++ b/src/mesh/mesh_mech_FEM.f90 @@ -289,8 +289,8 @@ type(tSolutionState) function FEM_mechanical_solution( & params%timeinc = timeinc params%fieldBC = fieldBC - call SNESSolve(mechanical_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr) ! solve mechanical_snes based on solution guess (result in solution) - call SNESGetConvergedReason(mechanical_snes,reason,ierr); CHKERRQ(ierr) ! solution converged? + call SNESSolve(mechanical_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr) ! solve mechanical_snes based on solution guess (result in solution) + call SNESGetConvergedReason(mechanical_snes,reason,ierr); CHKERRQ(ierr) ! solution converged? terminallyIll = .false. if (reason < 1) then ! 0: still iterating (will not occur), negative -> convergence error diff --git a/src/phase_mechanical.f90 b/src/phase_mechanical.f90 index 3c14accb5..a14102513 100644 --- a/src/phase_mechanical.f90 +++ b/src/phase_mechanical.f90 @@ -215,8 +215,8 @@ module subroutine mechanical_init(materials,phases) allocate(phase_mechanical_F0(phases%length)) allocate(phase_mechanical_Li(phases%length)) allocate(phase_mechanical_Li0(phases%length)) - allocate(phase_mechanical_Lp0(phases%length)) allocate(phase_mechanical_Lp(phases%length)) + allocate(phase_mechanical_Lp0(phases%length)) allocate(phase_mechanical_S(phases%length)) allocate(phase_mechanical_P(phases%length)) allocate(phase_mechanical_S0(phases%length)) @@ -224,20 +224,20 @@ module subroutine mechanical_init(materials,phases) do ph = 1, phases%length Nmembers = count(material_phaseID == ph) - allocate(phase_mechanical_Fi(ph)%data(3,3,Nmembers)) allocate(phase_mechanical_Fe(ph)%data(3,3,Nmembers)) + allocate(phase_mechanical_Fi(ph)%data(3,3,Nmembers)) allocate(phase_mechanical_Fi0(ph)%data(3,3,Nmembers)) allocate(phase_mechanical_Fp(ph)%data(3,3,Nmembers)) allocate(phase_mechanical_Fp0(ph)%data(3,3,Nmembers)) - allocate(phase_mechanical_Li(ph)%data(3,3,Nmembers)) - allocate(phase_mechanical_Li0(ph)%data(3,3,Nmembers)) - allocate(phase_mechanical_Lp0(ph)%data(3,3,Nmembers)) - allocate(phase_mechanical_Lp(ph)%data(3,3,Nmembers)) + allocate(phase_mechanical_F(ph)%data(3,3,Nmembers)) + allocate(phase_mechanical_F0(ph)%data(3,3,Nmembers)) + allocate(phase_mechanical_Li(ph)%data(3,3,Nmembers),source=0.0_pReal) + allocate(phase_mechanical_Li0(ph)%data(3,3,Nmembers),source=0.0_pReal) + allocate(phase_mechanical_Lp(ph)%data(3,3,Nmembers),source=0.0_pReal) + allocate(phase_mechanical_Lp0(ph)%data(3,3,Nmembers),source=0.0_pReal) allocate(phase_mechanical_S(ph)%data(3,3,Nmembers),source=0.0_pReal) allocate(phase_mechanical_P(ph)%data(3,3,Nmembers),source=0.0_pReal) allocate(phase_mechanical_S0(ph)%data(3,3,Nmembers),source=0.0_pReal) - allocate(phase_mechanical_F(ph)%data(3,3,Nmembers)) - allocate(phase_mechanical_F0(ph)%data(3,3,Nmembers)) phase => phases%get(ph) mech => phase%get('mechanical') @@ -494,7 +494,7 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken) enddo LpLoop call phase_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, & - S, Fi_new, ph,en) + S, Fi_new, ph,en) !* update current residuum and check for convergence of loop atol_Li = max(num%rtol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), & ! absolute tolerance from largest acceptable relative error @@ -1130,12 +1130,12 @@ module function phase_mechanical_dPdF(Delta_t,co,ce) result(dPdF) en = material_phaseEntry(co,ce) call phase_hooke_SandItsTangents(devNull,dSdFe,dSdFi, & - phase_mechanical_Fe(ph)%data(1:3,1:3,en), & - phase_mechanical_Fi(ph)%data(1:3,1:3,en),ph,en) + phase_mechanical_Fe(ph)%data(1:3,1:3,en), & + phase_mechanical_Fi(ph)%data(1:3,1:3,en),ph,en) call phase_LiAndItsTangents(devNull,dLidS,dLidFi, & - phase_mechanical_S(ph)%data(1:3,1:3,en), & - phase_mechanical_Fi(ph)%data(1:3,1:3,en), & - ph,en) + phase_mechanical_S(ph)%data(1:3,1:3,en), & + phase_mechanical_Fi(ph)%data(1:3,1:3,en), & + ph,en) invFp = math_inv33(phase_mechanical_Fp(ph)%data(1:3,1:3,en)) invFi = math_inv33(phase_mechanical_Fi(ph)%data(1:3,1:3,en))