mirror of
https://github.com/openmc-dev/openmc.git
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Move particle restart writing / lost particle handling to particle_header
This commit is contained in:
Paul Romano
parent
a149ef42a0
commit
d4f366cbd4
8 changed files with 132 additions and 147 deletions
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@ -377,7 +377,6 @@ set(LIBOPENMC_FORTRAN_SRC
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src/output.F90
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src/particle_header.F90
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src/particle_restart.F90
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src/particle_restart_write.F90
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src/physics_common.F90
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src/physics.F90
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src/physics_mg.F90
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@ -112,6 +112,7 @@ contains
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legendre_to_tabular = .true.
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legendre_to_tabular_points = 33
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n_batch_interval = 1
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n_lost_particles = 0
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n_particles = 0
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n_source_points = 0
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n_state_points = 0
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@ -5,7 +5,6 @@ module geometry
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use geometry_header
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use output, only: write_message
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use particle_header, only: LocalCoord, Particle
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use particle_restart_write, only: write_particle_restart
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use simulation_header
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use settings
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use surface_header
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@ -357,7 +356,7 @@ contains
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else
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! Particle is outside the lattice.
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if (lat % outer == NO_OUTER_UNIVERSE) then
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call handle_lost_particle(p, "Particle " // trim(to_str(p %id)) &
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call p % mark_as_lost("Particle " // trim(to_str(p %id)) &
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// " is outside lattice " // trim(to_str(lat % id)) &
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// " but the lattice has no defined outer universe.")
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return
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@ -440,8 +439,8 @@ contains
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! Do not handle reflective boundary conditions on lower universes
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if (p % n_coord /= 1) then
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call handle_lost_particle(p, "Cannot reflect particle " &
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&// trim(to_str(p % id)) // " off surface in a lower universe.")
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call p % mark_as_lost("Cannot reflect particle " &
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// trim(to_str(p % id)) // " off surface in a lower universe.")
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return
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end if
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@ -477,8 +476,8 @@ contains
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p % n_coord = 1
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call find_cell(p, found)
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if (.not. found) then
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call handle_lost_particle(p, "Couldn't find particle after reflecting&
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& from surface " // trim(to_str(surf%id)) // ".")
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call p % mark_as_lost("Couldn't find particle after reflecting&
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& from surface " // trim(to_str(surf % id)) // ".")
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return
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end if
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@ -497,7 +496,7 @@ contains
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! Do not handle periodic boundary conditions on lower universes
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if (p % n_coord /= 1) then
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call handle_lost_particle(p, "Cannot transfer particle " &
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call p % mark_as_lost("Cannot transfer particle " &
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// trim(to_str(p % id)) // " across surface in a lower universe.&
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& Boundary conditions must be applied to universe 0.")
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return
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@ -584,8 +583,8 @@ contains
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p % n_coord = 1
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call find_cell(p, found)
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if (.not. found) then
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call handle_lost_particle(p, "Couldn't find particle after hitting &
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&periodic boundary on surface " // trim(to_str(surf%id)) // ".")
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call p % mark_as_lost("Couldn't find particle after hitting &
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&periodic boundary on surface " // trim(to_str(surf % id)) // ".")
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return
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end if
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@ -641,8 +640,8 @@ contains
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! undefined region in the geometry.
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if (.not. found) then
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call handle_lost_particle(p, "After particle " // trim(to_str(p % id)) &
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// " crossed surface " // trim(to_str(surf%id)) &
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call p % mark_as_lost("After particle " // trim(to_str(p % id)) &
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// " crossed surface " // trim(to_str(surf % id)) &
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// " it could not be located in any cell and it did not leak.")
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return
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end if
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@ -690,7 +689,7 @@ contains
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call find_cell(p, found)
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if (.not. found) then
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if (p % alive) then ! Particle may have been killed in find_cell
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call handle_lost_particle(p, "Could not locate particle " &
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call p % mark_as_lost("Could not locate particle " &
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// trim(to_str(p % id)) // " after crossing a lattice boundary.")
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return
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end if
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@ -713,9 +712,8 @@ contains
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! Search for particle
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call find_cell(p, found)
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if (.not. found) then
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call handle_lost_particle(p, "Could not locate particle " &
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// trim(to_str(p % id)) &
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// " after crossing a lattice boundary.")
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call p % mark_as_lost("Could not locate particle " // &
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trim(to_str(p % id)) // " after crossing a lattice boundary.")
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return
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end if
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end if
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@ -992,7 +990,7 @@ contains
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end select LAT_TYPE
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if (d_lat < ZERO) then
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call handle_lost_particle(p, "Particle " // trim(to_str(p % id)) &
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call p % mark_as_lost("Particle " // trim(to_str(p % id)) &
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//" had a negative distance to a lattice boundary. d = " &
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//trim(to_str(d_lat)))
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end if
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@ -1093,38 +1091,6 @@ contains
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end subroutine neighbor_lists
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!===============================================================================
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! HANDLE_LOST_PARTICLE
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!===============================================================================
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subroutine handle_lost_particle(p, message)
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type(Particle), intent(inout) :: p
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character(*) :: message
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integer(8) :: tot_n_particles
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! Print warning and write lost particle file
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call warning(message)
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call write_particle_restart(p)
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! Increment number of lost particles
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p % alive = .false.
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!$omp atomic
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n_lost_particles = n_lost_particles + 1
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! Count the total number of simulated particles (on this processor)
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tot_n_particles = n_batches * gen_per_batch * work
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! Abort the simulation if the maximum number of lost particles has been
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! reached
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if (n_lost_particles >= MAX_LOST_PARTICLES .and. &
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n_lost_particles >= REL_MAX_LOST_PARTICLES * tot_n_particles) then
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call fatal_error("Maximum number of lost particles has been reached.")
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end if
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end subroutine handle_lost_particle
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!===============================================================================
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! CALC_OFFSETS calculates and stores the offsets in all fill cells. This
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! routine is called once upon initialization.
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@ -1,20 +1,27 @@
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module particle_header
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use bank_header, only: Bank
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use constants, only: NEUTRON, ONE, NONE, ZERO, MAX_SECONDARY, &
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MAX_DELAYED_GROUPS, ERROR_REAL
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use error, only: fatal_error
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use hdf5, only: HID_T
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use bank_header, only: Bank, source_bank
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use constants
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use error, only: fatal_error, warning
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use geometry_header, only: root_universe
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use hdf5_interface
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use settings
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use simulation_header
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use string, only: to_str
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implicit none
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private
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!===============================================================================
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! LOCALCOORD describes the location of a particle local to a single
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! universe. When the geometry consists of nested universes, a particle will have
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! a list of coordinates in each level
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!===============================================================================
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type LocalCoord
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type, public :: LocalCoord
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! Indices in various arrays for this level
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integer :: cell = NONE
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@ -39,7 +46,7 @@ module particle_header
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! geometry
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!===============================================================================
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type Particle
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type, public :: Particle
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! Basic data
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integer(8) :: id ! Unique ID
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integer :: type ! Particle type (n, p, e, etc)
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@ -107,10 +114,12 @@ module particle_header
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type(Bank) :: secondary_bank(MAX_SECONDARY)
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contains
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procedure :: initialize => initialize_particle
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procedure :: clear => clear_particle
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procedure :: initialize_from_source
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procedure :: clear
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procedure :: create_secondary
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procedure :: initialize
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procedure :: initialize_from_source
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procedure :: mark_as_lost
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procedure :: write_restart
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end type Particle
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contains
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@ -120,7 +129,7 @@ contains
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! bank
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!===============================================================================
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subroutine initialize_particle(this)
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subroutine initialize(this)
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class(Particle) :: this
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@ -154,23 +163,22 @@ contains
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this % n_coord = 1
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this % last_n_coord = 1
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end subroutine initialize_particle
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end subroutine initialize
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!===============================================================================
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! CLEAR_PARTICLE resets all coordinate levels for the particle
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!===============================================================================
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subroutine clear_particle(this)
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subroutine clear(this)
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class(Particle) :: this
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integer :: i
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! remove any coordinate levels
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do i = 1, MAX_COORD
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call this % coord(i) % reset()
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end do
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end subroutine clear_particle
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end subroutine clear
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!===============================================================================
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! RESET_COORD clears data from a single coordinate level
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@ -255,4 +263,91 @@ contains
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end subroutine create_secondary
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!===============================================================================
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! MARK_AS_LOST
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!===============================================================================
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subroutine mark_as_lost(this, message)
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class(Particle), intent(inout) :: this
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character(*) :: message
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integer(8) :: tot_n_particles
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! Print warning and write lost particle file
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call warning(message)
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call this % write_restart()
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! Increment number of lost particles
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this % alive = .false.
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!$omp atomic
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n_lost_particles = n_lost_particles + 1
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! Count the total number of simulated particles (on this processor)
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tot_n_particles = current_batch * gen_per_batch * work
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! Abort the simulation if the maximum number of lost particles has been
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! reached
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if (n_lost_particles >= MAX_LOST_PARTICLES .and. &
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n_lost_particles >= REL_MAX_LOST_PARTICLES * tot_n_particles) then
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call fatal_error("Maximum number of lost particles has been reached.")
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end if
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end subroutine mark_as_lost
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!===============================================================================
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! WRITE_RESTART creates a particle restart file
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!===============================================================================
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subroutine write_restart(this)
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class(Particle), intent(in) :: this
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integer(HID_T) :: file_id
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character(MAX_FILE_LEN) :: filename
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! Dont write another restart file if in particle restart mode
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if (run_mode == MODE_PARTICLE) return
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! Set up file name
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filename = trim(path_output) // 'particle_' // trim(to_str(current_batch)) &
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// '_' // trim(to_str(this % id)) // '.h5'
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!$omp critical (WriteParticleRestart)
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! Create file
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file_id = file_create(filename)
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associate (src => source_bank(current_work))
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! Write filetype and version info
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call write_attribute(file_id, 'filetype', 'particle restart')
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call write_attribute(file_id, 'version', VERSION_PARTICLE_RESTART)
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call write_attribute(file_id, "openmc_version", VERSION)
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#ifdef GIT_SHA1
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call write_attribute(file_id, "git_sha1", GIT_SHA1)
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#endif
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! Write data to file
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call write_dataset(file_id, 'current_batch', current_batch)
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call write_dataset(file_id, 'generations_per_batch', gen_per_batch)
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call write_dataset(file_id, 'current_generation', current_gen)
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call write_dataset(file_id, 'n_particles', n_particles)
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select case(run_mode)
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case (MODE_FIXEDSOURCE)
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call write_dataset(file_id, 'run_mode', 'fixed source')
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case (MODE_EIGENVALUE)
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call write_dataset(file_id, 'run_mode', 'eigenvalue')
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case (MODE_PARTICLE)
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call write_dataset(file_id, 'run_mode', 'particle restart')
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end select
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call write_dataset(file_id, 'id', this % id)
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call write_dataset(file_id, 'weight', src % wgt)
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call write_dataset(file_id, 'energy', src % E)
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call write_dataset(file_id, 'xyz', src % xyz)
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call write_dataset(file_id, 'uvw', src % uvw)
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end associate
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! Close file
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call file_close(file_id)
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!$omp end critical (WriteParticleRestart)
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end subroutine write_restart
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end module particle_header
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@ -1,74 +0,0 @@
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module particle_restart_write
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use bank_header, only: Bank, source_bank
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use hdf5_interface
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use particle_header, only: Particle
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use settings
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use simulation_header
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use string, only: to_str
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use hdf5
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implicit none
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private
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public :: write_particle_restart
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contains
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!===============================================================================
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! WRITE_PARTICLE_RESTART is the main routine that writes out the particle file
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!===============================================================================
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subroutine write_particle_restart(p)
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type(Particle), intent(in) :: p
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integer(HID_T) :: file_id
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character(MAX_FILE_LEN) :: filename
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! Dont write another restart file if in particle restart mode
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if (run_mode == MODE_PARTICLE) return
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! Set up file name
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filename = trim(path_output) // 'particle_' // trim(to_str(current_batch)) &
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// '_' // trim(to_str(p%id)) // '.h5'
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!$omp critical (WriteParticleRestart)
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! Create file
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file_id = file_create(filename)
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associate (src => source_bank(current_work))
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! Write filetype and version info
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call write_attribute(file_id, 'filetype', 'particle restart')
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call write_attribute(file_id, 'version', VERSION_PARTICLE_RESTART)
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call write_attribute(file_id, "openmc_version", VERSION)
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#ifdef GIT_SHA1
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call write_attribute(file_id, "git_sha1", GIT_SHA1)
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#endif
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! Write data to file
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call write_dataset(file_id, 'current_batch', current_batch)
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call write_dataset(file_id, 'generations_per_batch', gen_per_batch)
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call write_dataset(file_id, 'current_generation', current_gen)
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call write_dataset(file_id, 'n_particles', n_particles)
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select case(run_mode)
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case (MODE_FIXEDSOURCE)
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call write_dataset(file_id, 'run_mode', 'fixed source')
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case (MODE_EIGENVALUE)
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call write_dataset(file_id, 'run_mode', 'eigenvalue')
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case (MODE_PARTICLE)
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call write_dataset(file_id, 'run_mode', 'particle restart')
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end select
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call write_dataset(file_id, 'id', p%id)
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call write_dataset(file_id, 'weight', src%wgt)
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call write_dataset(file_id, 'energy', src%E)
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call write_dataset(file_id, 'xyz', src%xyz)
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call write_dataset(file_id, 'uvw', src%uvw)
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end associate
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! Close file
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call file_close(file_id)
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!$omp end critical (WriteParticleRestart)
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end subroutine write_particle_restart
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end module particle_restart_write
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@ -12,7 +12,6 @@ module physics
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use nuclide_header
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use output, only: write_message
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use particle_header, only: Particle
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use particle_restart_write, only: write_particle_restart
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use physics_common
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use random_lcg, only: prn, advance_prn_seed, prn_set_stream
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use reaction_header, only: Reaction
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@ -172,7 +171,7 @@ contains
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! Check to make sure that a nuclide was sampled
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if (i_nuc_mat > mat % n_nuclides) then
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call write_particle_restart(p)
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call p % write_restart()
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call fatal_error("Did not sample any nuclide during collision.")
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end if
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@ -384,7 +383,7 @@ contains
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! Check to make sure inelastic scattering reaction sampled
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if (i > size(nuc % reactions)) then
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call write_particle_restart(p)
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call p % write_restart()
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call fatal_error("Did not sample any reaction for nuclide " &
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&// trim(nuc % name))
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end if
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@ -1098,7 +1097,7 @@ contains
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! Determine indices on ufs mesh for current location
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call m % get_bin(p % coord(1) % xyz, mesh_bin)
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if (mesh_bin == NO_BIN_FOUND) then
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call write_particle_restart(p)
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call p % write_restart()
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call fatal_error("Source site outside UFS mesh!")
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end if
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@ -1251,7 +1250,7 @@ contains
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! check for large number of resamples
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n_sample = n_sample + 1
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if (n_sample == MAX_SAMPLE) then
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! call write_particle_restart(p)
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! call p % write_restart()
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call fatal_error("Resampled energy distribution maximum number of " &
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// "times for nuclide " // nuc % name)
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end if
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@ -1275,7 +1274,7 @@ contains
|
|||
! check for large number of resamples
|
||||
n_sample = n_sample + 1
|
||||
if (n_sample == MAX_SAMPLE) then
|
||||
! call write_particle_restart(p)
|
||||
! call p % write_restart()
|
||||
call fatal_error("Resampled energy distribution maximum number of " &
|
||||
// "times for nuclide " // nuc % name)
|
||||
end if
|
||||
|
|
|
|||
|
|
@ -13,7 +13,6 @@ module physics_mg
|
|||
use nuclide_header, only: material_xs
|
||||
use output, only: write_message
|
||||
use particle_header, only: Particle
|
||||
use particle_restart_write, only: write_particle_restart
|
||||
use physics_common
|
||||
use random_lcg, only: prn
|
||||
use scattdata_header
|
||||
|
|
@ -196,7 +195,7 @@ contains
|
|||
call m % get_bin(p % coord(1) % xyz, mesh_bin)
|
||||
|
||||
if (mesh_bin == NO_BIN_FOUND) then
|
||||
call write_particle_restart(p)
|
||||
call p % write_restart()
|
||||
call fatal_error("Source site outside UFS mesh!")
|
||||
end if
|
||||
|
||||
|
|
|
|||
|
|
@ -13,7 +13,7 @@ module simulation_header
|
|||
! GEOMETRY-RELATED VARIABLES
|
||||
|
||||
! Number of lost particles
|
||||
integer :: n_lost_particles
|
||||
integer :: n_lost_particles = 0
|
||||
|
||||
real(8) :: log_spacing ! spacing on logarithmic grid
|
||||
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue