# ## MOOSE input file for two lipid layers, generated by make-twolayer.pl ## [Mesh] file = 1um-restart-12_out.e [] [Variables] [./nInner_POPC] initial_from_file_var = nInner_POPC initial_from_file_timestep = 426 #initial_from_file_var = nInner_POPC #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nInner_PAPC] initial_from_file_var = nInner_PAPC initial_from_file_timestep = 426 #initial_from_file_var = nInner_PAPC #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nInner_POPE] initial_from_file_var = nInner_POPE initial_from_file_timestep = 426 #initial_from_file_var = nInner_POPE #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nInner_DIPE] initial_from_file_var = nInner_DIPE initial_from_file_timestep = 426 #initial_from_file_var = nInner_DIPE #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nInner_DPSM] initial_from_file_var = nInner_DPSM initial_from_file_timestep = 426 #initial_from_file_var = nInner_DPSM #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nInner_PAPS] initial_from_file_var = nInner_PAPS initial_from_file_timestep = 426 #initial_from_file_var = nInner_PAPS #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nInner_PAP6] initial_from_file_var = nInner_PAP6 initial_from_file_timestep = 426 #initial_from_file_var = nInner_PAP6 #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nInner_CHOL] initial_from_file_var = nInner_CHOL initial_from_file_timestep = 426 #initial_from_file_var = nInner_CHOL #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nOuter_POPC] initial_from_file_var = nOuter_POPC initial_from_file_timestep = 426 #initial_from_file_var = nOuter_POPC #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nOuter_PAPC] initial_from_file_var = nOuter_PAPC initial_from_file_timestep = 426 #initial_from_file_var = nOuter_PAPC #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nOuter_POPE] initial_from_file_var = nOuter_POPE initial_from_file_timestep = 426 #initial_from_file_var = nOuter_POPE #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nOuter_DIPE] initial_from_file_var = nOuter_DIPE initial_from_file_timestep = 426 #initial_from_file_var = nOuter_DIPE #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nOuter_DPSM] initial_from_file_var = nOuter_DPSM initial_from_file_timestep = 426 #initial_from_file_var = nOuter_DPSM #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nOuter_PAPS] initial_from_file_var = nOuter_PAPS initial_from_file_timestep = 426 #initial_from_file_var = nOuter_PAPS #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nOuter_PAP6] initial_from_file_var = nOuter_PAP6 initial_from_file_timestep = 426 #initial_from_file_var = nOuter_PAP6 #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [./nOuter_CHOL] initial_from_file_var = nOuter_CHOL initial_from_file_timestep = 426 #initial_from_file_var = nOuter_CHOL #initial_from_file_timestep = 17 ## Choose which frame (timestep) in solution file ## to restart from. Use the word LATEST if you want ## the last one, otherwise an integer: order = THIRD family = HERMITE [../] [] [Kernels] #[./HC_nInner_POPC] # type = HeatConductionKernel # variable = nInner_POPC # diffusion_coefficient_name = D_nInner_POPC #[../] [./dotnInner_POPC] type = TimeDerivative variable = nInner_POPC [../] #[./HC_nInner_PAPC] # type = HeatConductionKernel # variable = nInner_PAPC # diffusion_coefficient_name = D_nInner_PAPC #[../] [./dotnInner_PAPC] type = TimeDerivative variable = nInner_PAPC [../] #[./HC_nInner_POPE] # type = HeatConductionKernel # variable = nInner_POPE # diffusion_coefficient_name = D_nInner_POPE #[../] [./dotnInner_POPE] type = TimeDerivative variable = nInner_POPE [../] #[./HC_nInner_DIPE] # type = HeatConductionKernel # variable = nInner_DIPE # diffusion_coefficient_name = D_nInner_DIPE #[../] [./dotnInner_DIPE] type = TimeDerivative variable = nInner_DIPE [../] #[./HC_nInner_DPSM] # type = HeatConductionKernel # variable = nInner_DPSM # diffusion_coefficient_name = D_nInner_DPSM #[../] [./dotnInner_DPSM] type = TimeDerivative variable = nInner_DPSM [../] #[./HC_nInner_PAPS] # type = HeatConductionKernel # variable = nInner_PAPS # diffusion_coefficient_name = D_nInner_PAPS #[../] [./dotnInner_PAPS] type = TimeDerivative variable = nInner_PAPS [../] #[./HC_nInner_PAP6] # type = HeatConductionKernel # variable = nInner_PAP6 # diffusion_coefficient_name = D_nInner_PAP6 #[../] [./dotnInner_PAP6] type = TimeDerivative variable = nInner_PAP6 [../] #[./HC_nInner_CHOL] # type = HeatConductionKernel # variable = nInner_CHOL # diffusion_coefficient_name = D_nInner_CHOL #[../] [./dotnInner_CHOL] type = TimeDerivative variable = nInner_CHOL [../] #[./HC_nOuter_POPC] # type = HeatConductionKernel # variable = nOuter_POPC # diffusion_coefficient_name = D_nOuter_POPC #[../] [./dotnOuter_POPC] type = TimeDerivative variable = nOuter_POPC [../] #[./HC_nOuter_PAPC] # type = HeatConductionKernel # variable = nOuter_PAPC # diffusion_coefficient_name = D_nOuter_PAPC #[../] [./dotnOuter_PAPC] type = TimeDerivative variable = nOuter_PAPC [../] #[./HC_nOuter_POPE] # type = HeatConductionKernel # variable = nOuter_POPE # diffusion_coefficient_name = D_nOuter_POPE #[../] [./dotnOuter_POPE] type = TimeDerivative variable = nOuter_POPE [../] #[./HC_nOuter_DIPE] # type = HeatConductionKernel # variable = nOuter_DIPE # diffusion_coefficient_name = D_nOuter_DIPE #[../] [./dotnOuter_DIPE] type = TimeDerivative variable = nOuter_DIPE [../] #[./HC_nOuter_DPSM] # type = HeatConductionKernel # variable = nOuter_DPSM # diffusion_coefficient_name = D_nOuter_DPSM #[../] [./dotnOuter_DPSM] type = TimeDerivative variable = nOuter_DPSM [../] [./HC_nOuter_PAPS] type = HeatConductionKernel variable = nOuter_PAPS diffusion_coefficient_name = D_nOuter_PAPS [../] [./dotnOuter_PAPS] type = TimeDerivative variable = nOuter_PAPS [../] [./HC_nOuter_PAP6] type = HeatConductionKernel variable = nOuter_PAP6 diffusion_coefficient_name = D_nOuter_PAP6 [../] [./dotnOuter_PAP6] type = TimeDerivative variable = nOuter_PAP6 [../] #[./HC_nOuter_CHOL] # type = HeatConductionKernel # variable = nOuter_CHOL # diffusion_coefficient_name = D_nOuter_CHOL #[../] [./dotnOuter_CHOL] type = TimeDerivative variable = nOuter_CHOL [../] [./LM_nInner_POPC] type = LipidMembrane4 D = 46.000 variable = nInner_POPC solution_host = grabber [../] [./conserved_langevin_nInner_POPC] type = ConservedLangevinNoise amplitude = 4.600e+00 variable = nInner_POPC noise = normal_noise_nInner_POPC [../] [./hycop_nInner_POPC] type = HycopTermTable D = 46.000 potfun_file_list = ' /usr/gapps/kras/data/hycop-parms/smooth/state1-newsmooth-pmf.dat /usr/gapps/kras/data/hycop-parms/smooth/state2-newsmooth-pmf.dat' variable = nInner_POPC particle_host = dumper [../] [./LM_nInner_PAPC] type = LipidMembrane4 D = 44.000 variable = nInner_PAPC solution_host = grabber [../] [./conserved_langevin_nInner_PAPC] type = ConservedLangevinNoise amplitude = 2.400e+00 variable = nInner_PAPC noise = normal_noise_nInner_PAPC [../] [./hycop_nInner_PAPC] type = HycopTermTable D = 44.000 potfun_file_list = ' /usr/gapps/kras/data/hycop-parms/smooth/state1-newsmooth-pmf.dat /usr/gapps/kras/data/hycop-parms/smooth/state2-newsmooth-pmf.dat' variable = nInner_PAPC particle_host = dumper [../] [./LM_nInner_POPE] type = LipidMembrane4 D = 39.000 variable = nInner_POPE solution_host = grabber [../] [./conserved_langevin_nInner_POPE] type = ConservedLangevinNoise amplitude = 0.600e+00 variable = nInner_POPE noise = normal_noise_nInner_POPE [../] [./hycop_nInner_POPE] type = HycopTermTable D = 39.000 potfun_file_list = ' /usr/gapps/kras/data/hycop-parms/smooth/state1-newsmooth-pmf.dat /usr/gapps/kras/data/hycop-parms/smooth/state2-newsmooth-pmf.dat' variable = nInner_POPE particle_host = dumper [../] [./LM_nInner_DIPE] type = LipidMembrane4 D = 49.000 variable = nInner_DIPE solution_host = grabber [../] [./conserved_langevin_nInner_DIPE] type = ConservedLangevinNoise amplitude = 0.4900e+00 variable = nInner_DIPE noise = normal_noise_nInner_DIPE [../] [./hycop_nInner_DIPE] type = HycopTermTable D = 49.000 potfun_file_list = ' /usr/gapps/kras/data/hycop-parms/smooth/state1-newsmooth-pmf.dat /usr/gapps/kras/data/hycop-parms/smooth/state2-newsmooth-pmf.dat' variable = nInner_DIPE particle_host = dumper [../] [./LM_nInner_DPSM] type = LipidMembrane4 D = 45.000 variable = nInner_DPSM solution_host = grabber [../] [./conserved_langevin_nInner_DPSM] type = ConservedLangevinNoise amplitude = 3.500e+00 variable = nInner_DPSM noise = normal_noise_nInner_DPSM [../] [./hycop_nInner_DPSM] type = HycopTermTable D = 45.000 potfun_file_list = ' /usr/gapps/kras/data/hycop-parms/smooth/state1-newsmooth-pmf.dat /usr/gapps/kras/data/hycop-parms/smooth/state2-newsmooth-pmf.dat' variable = nInner_DPSM particle_host = dumper [../] [./LM_nInner_PAPS] type = LipidMembrane4 D = 49.000 variable = nInner_PAPS solution_host = grabber [../] [./conserved_langevin_nInner_PAPS] type = ConservedLangevinNoise amplitude = 2.900e+00 variable = nInner_PAPS noise = normal_noise_nInner_PAPS [../] [./hycop_nInner_PAPS] type = HycopTermTable D = 49.000 potfun_file_list = ' /usr/gapps/kras/data/hycop-parms/smooth/state1-newsmooth-pmf.dat /usr/gapps/kras/data/hycop-parms/smooth/state2-newsmooth-pmf.dat' variable = nInner_PAPS particle_host = dumper [../] [./LM_nInner_PAP6] type = LipidMembrane4 D = 32.000 variable = nInner_PAP6 solution_host = grabber [../] [./conserved_langevin_nInner_PAP6] type = ConservedLangevinNoise amplitude = 0.2200e+00 variable = nInner_PAP6 noise = normal_noise_nInner_PAP6 [../] [./hycop_nInner_PAP6] type = HycopTermTable D = 32.000 potfun_file_list = ' /usr/gapps/kras/data/hycop-parms/smooth/state1-newsmooth-pmf.dat /usr/gapps/kras/data/hycop-parms/smooth/state2-newsmooth-pmf.dat' variable = nInner_PAP6 particle_host = dumper [../] [./LM_nInner_CHOL] type = LipidMembrane4 D = 42.900 variable = nInner_CHOL solution_host = grabber [../] [./conserved_langevin_nInner_CHOL] type = ConservedLangevinNoise amplitude = 4.290e+00 variable = nInner_CHOL noise = normal_noise_nInner_CHOL [../] [./hycop_nInner_CHOL] type = HycopTermTable D = 42.900 potfun_file_list = ' /usr/gapps/kras/data/hycop-parms/smooth/state1-newsmooth-pmf.dat /usr/gapps/kras/data/hycop-parms/smooth/state2-newsmooth-pmf.dat' variable = nInner_CHOL particle_host = dumper [../] [./LM_nOuter_POPC] type = LipidMembrane4 D = 36.000 variable = nOuter_POPC solution_host = grabber [../] [./conserved_langevin_nOuter_POPC] type = ConservedLangevinNoise amplitude = 3.600e+00 variable = nOuter_POPC noise = normal_noise_nOuter_POPC [../] [./LM_nOuter_PAPC] type = LipidMembrane4 D = 36.000 variable = nOuter_PAPC solution_host = grabber [../] [./conserved_langevin_nOuter_PAPC] type = ConservedLangevinNoise amplitude = 3.600e+00 variable = nOuter_PAPC noise = normal_noise_nOuter_PAPC [../] [./LM_nOuter_POPE] type = LipidMembrane4 D = 31.000 variable = nOuter_POPE solution_host = grabber [../] [./conserved_langevin_nOuter_POPE] type = ConservedLangevinNoise amplitude = 0.3100e+00 variable = nOuter_POPE noise = normal_noise_nOuter_POPE [../] [./LM_nOuter_DIPE] type = LipidMembrane4 D = 34.000 variable = nOuter_DIPE solution_host = grabber [../] [./conserved_langevin_nOuter_DIPE] type = ConservedLangevinNoise amplitude = 1.400e+00 variable = nOuter_DIPE noise = normal_noise_nOuter_DIPE [../] [./LM_nOuter_DPSM] type = LipidMembrane4 D = 35.000 variable = nOuter_DPSM solution_host = grabber [../] [./conserved_langevin_nOuter_DPSM] type = ConservedLangevinNoise amplitude = 3.500e+00 variable = nOuter_DPSM noise = normal_noise_nOuter_DPSM [../] [./LM_nOuter_CHOL] type = LipidMembrane4 D = 42.900 variable = nOuter_CHOL solution_host = grabber [../] [./conserved_langevin_nOuter_CHOL] type = ConservedLangevinNoise amplitude = 4.290e+00 variable = nOuter_CHOL noise = normal_noise_nOuter_CHOL [../] [] [BCs] [./Periodic] [./all] auto_direction = 'x y' [../] [../] [] [Materials] [./diffmat] type = GenericConstantMaterial block = 0 ## Diffusion coeff per Helgis e-mail Feb 6, with attache dexcel document. ## using leftmost column "Average mix8b - x1" for "inner" leaflet, plus ## 0.0605e-5 cm^2/s == 60.5 nm^2/us for nInner_CHOL per comments in e-mail prop_names = 'D_nInner_POPC D_nInner_PAPC D_nInner_POPE D_nInner_DIPE D_nInner_DPSM D_nInner_PAPS D_nInner_PAP6 D_nInner_CHOL D_nOuter_POPC D_nOuter_PAPC D_nOuter_POPE D_nOuter_DIPE D_nOuter_DPSM D_nOuter_PAPS D_nOuter_PAP6 D_nOuter_CHOL' prop_values = ' 46.000 44.000 39.000 49.000 45.000 49.000 32.000 42.900 36.000 36.000 31.000 34.000 35.000 0.000 0.000 42.900' [../] [] [UserObjects] [./normal_noise_nInner_POPC] seed = 51877969 type = ConservedNormalNoise [../] [./normal_noise_nInner_PAPC] seed = 45829369 type = ConservedNormalNoise [../] [./normal_noise_nInner_POPE] seed = 51552278 type = ConservedNormalNoise [../] [./normal_noise_nInner_DIPE] seed = 96673908 type = ConservedNormalNoise [../] [./normal_noise_nInner_DPSM] seed = 38764145 type = ConservedNormalNoise [../] [./normal_noise_nInner_PAPS] seed = 59269739 type = ConservedNormalNoise [../] [./normal_noise_nInner_PAP6] seed = 23916282 type = ConservedNormalNoise [../] [./normal_noise_nInner_CHOL] seed = 45721765 type = ConservedNormalNoise [../] [./normal_noise_nOuter_POPC] seed = 25036018 type = ConservedNormalNoise [../] [./normal_noise_nOuter_PAPC] seed = 90640585 type = ConservedNormalNoise [../] [./normal_noise_nOuter_POPE] seed = 22113219 type = ConservedNormalNoise [../] [./normal_noise_nOuter_DIPE] seed = 20897286 type = ConservedNormalNoise [../] [./normal_noise_nOuter_DPSM] seed = 16528697 type = ConservedNormalNoise [../] #[./normal_noise_nOuter_PAPS] # seed = 94684857 # type = ConservedNormalNoise #[../] #[./normal_noise_nOuter_PAP6] # seed = 48588310 # type = ConservedNormalNoise #[../] [./normal_noise_nOuter_CHOL] seed = 89577751 type = ConservedNormalNoise [../] [./grabber] type = SolutionGrab3 #corrfun_file = /usr/gapps/kras/data/hycop-parms/cofr_ij.txt_full #corrfun_file = cofr_ij_newsmooth.dat #corrfun_file = /usr/gapps/kras/data/hycop-parms/smooth/cofrd_ij_newsmooth-hack.dat corrfun_file = cofr_ij_newmodel.txt nvars = 14 var1 = nInner_POPC var2 = nInner_PAPC var3 = nInner_POPE var4 = nInner_DIPE var5 = nInner_DPSM var6 = nInner_PAPS var7 = nInner_PAP6 var8 = nInner_CHOL var9 = nOuter_POPC var10 = nOuter_PAPC var11 = nOuter_POPE var12 = nOuter_DIPE var13 = nOuter_DPSM var14 = nOuter_CHOL [../] [./dumper] type = SolutionDump iter0 = 3912 use_databroker = 0 nvars = 16 var1 = nInner_POPC var2 = nInner_PAPC var3 = nInner_POPE var4 = nInner_DIPE var5 = nInner_DPSM var6 = nInner_PAPS var7 = nInner_PAP6 var8 = nInner_CHOL var9 = nOuter_POPC var10 = nOuter_PAPC var11 = nOuter_POPE var12 = nOuter_DIPE var13 = nOuter_DPSM var14 = nOuter_PAPS var15 = nOuter_PAP6 var16 = nOuter_CHOL [../] [] [Postprocessors] [] [Executioner] type = Transient #solve_type = NEWTON solve_type = PJFNK scheme = bdf2 #scheme = implicit-euler #scheme = explicit-euler # Alternative preconditioning using the additive Schwartz method and LU decomposition #petsc_options_iname = '-pc_type -sub_ksp_type -sub_pc_type' #petsc_options_value = 'asm preonly lu ' # Preconditioning options using Hypre (algebraic multi-grid) petsc_options = '-snes_ksp_ew' petsc_options_iname = '-pc_type -pc_hypre_type -ksp_gmres_restart' petsc_options_value = 'hypre boomeramg 1000' #petsc_options_iname = '-pc_type -sub_pc_type -ksp_gmres_restart' #petsc_options_value = 'bjacobi ilu 1000' l_max_its = 1000 #l_tol = 1e-3 nl_max_its = 25 nl_rel_tol = 1e-7 #nl_abs_tol = 1e-7 # Stability limit for this case: dt=1.0 stable, dt=2.0 unstable. # dt = 1.0 is quite noisy... start_time = 78.24 dt = 0.02 end_time = 88.24 [] [Outputs] exodus = true print_perf_log = true []