Merge branch 'develop' into log-energy-grid

docs/source/devguide/statepoint.rst

@@ -4,6 +4,292 @@
 State Point Binary File Specifications
 ======================================
 
+-----------
+Revision 13
+-----------
+
+**integer(4) FILETYPE_STATEPOINT**
+
+    Flags whether this file is a statepoint file or a particle restart file.
+
+**integer(4) REVISION_STATEPOINT**
+
+    Revision of the binary state point file. Any time a change is made in the
+    format of the state-point file, this integer is incremented.
+
+**integer(4) VERSION_MAJOR**
+
+    Major version number for OpenMC
+
+**integer(4) VERSION_MINOR**
+
+    Minor version number for OpenMC
+
+**integer(4) VERSION_RELEASE**
+
+    Release version number for OpenMC
+
+**character(19) time_stamp**
+
+    Date and time the state point was written.
+
+**character(255) path**
+
+    Absolute path to directory containing input files.
+
+**integer(8) seed**
+
+    Pseudo-random number generator seed.
+
+**integer(4) run_mode**
+
+    run mode used. The modes are described in constants.F90.
+
+**integer(8) n_particles**
+
+    Number of particles used per generation.
+
+**integer(4) current_batch**
+
+    The number of batches already simulated.
+
+if (run_mode == MODE_EIGENVALUE)
+
+    **integer(4) n_inactive**
+
+        Number of inactive batches
+
+    **integer(4) gen_per_batch**
+
+        Number of generations per batch for criticality calculations
+
+    *do i = 1, current_batch \* gen_per_batch*
+
+        **real(8) k_generation(i)**
+
+             k-effective for the i-th total generation
+
+    *do i = 1, current_batch \* gen_per_batch*
+
+        **real(8) entropy(i)**
+
+            Shannon entropy for the i-th total generation
+
+    **real(8) k_col_abs**
+
+        Sum of product of collision/absorption estimates of k-effective
+
+    **real(8) k_col_tra**
+
+        Sum of product of collision/track-length estimates of k-effective
+
+    **real(8) k_abs_tra**
+
+        Sum of product of absorption/track-length estimates of k-effective
+
+    **real(8) k_combined(2)**
+
+        Mean and standard deviation of a combined estimate of k-effective
+
+    **integer(4) cmfd_on**
+
+        Flag that cmfd is on
+
+    if (cmfd_on)
+
+        **integer(4) cmfd % indices**
+
+            Indices for cmfd mesh (i,j,k,g)
+
+        **real(8) cmfd % k_cmfd(1:current_batch)**
+
+            CMFD eigenvalues
+
+        **real(8) cmfd % src(1:G,1:I,1:J,1:K)**
+
+            CMFD fission source
+
+        **real(8) cmfd % entropy(1:current_batch)**
+
+            CMFD estimate of Shannon entropy
+
+        **real(8) cmfd % balance(1:current_batch)**
+
+            RMS of the residual neutron balance equation on CMFD mesh
+
+        **real(8) cmfd % dom(1:current_batch)**
+
+            CMFD estimate of dominance ratio
+
+        **real(8) cmfd % scr_cmp(1:current_batch)**
+
+            RMS comparison of difference between OpenMC and CMFD fission source
+
+**integer(4) n_meshes**
+
+    Number of meshes in tallies.xml file
+
+*do i = 1, n_meshes*
+
+    **integer(4) meshes(i) % id**
+
+        Unique ID of mesh.
+
+    **integer(4) meshes(i) % type**
+
+        Type of mesh.
+
+    **integer(4) meshes(i) % n_dimension**
+
+        Number of dimensions for mesh (2 or 3).
+
+    **integer(4) meshes(i) % dimension(:)**
+
+        Number of mesh cells in each dimension.
+
+    **real(8) meshes(i) % lower_left(:)**
+
+        Coordinates of lower-left corner of mesh.
+
+    **real(8) meshes(i) % upper_right(:)**
+
+        Coordinates of upper-right corner of mesh.
+
+    **real(8) meshes(i) % width(:)**
+
+        Width of each mesh cell in each dimension.
+
+**integer(4) n_tallies**
+
+*do i = 1, n_tallies*
+
+    **integer(4) tallies(i) % id**
+
+        Unique ID of tally.
+
+    **integer(4) tallies(i) % n_realizations**
+
+        Number of realizations for the i-th tally.
+
+    **integer(4) size(tallies(i) % scores, 1)**
+
+        Total number of score bins for the i-th tally
+
+    **integer(4) size(tallies(i) % scores, 2)**
+
+        Total number of filter bins for the i-th tally
+
+    **integer(4) tallies(i) % n_filters**
+
+    *do j = 1, tallies(i) % n_filters*
+
+        **integer(4) tallies(i) % filter(j) % type**
+
+            Type of tally filter.
+
+        **integer(4) tallies(i) % filter(j) % n_bins**
+
+            Number of bins for filter.
+
+        **integer(4)/real(8) tallies(i) % filter(j) % bins(:)**
+
+            Value for each filter bin of this type.
+
+    **integer(4) tallies(i) % n_nuclide_bins**
+
+        Number of nuclide bins. If none are specified, this is just one.
+
+    *do j = 1, tallies(i) % n_nuclide_bins*
+
+        **integer(4) tallies(i) % nuclide_bins(j)**
+
+            Values of specified nuclide bins
+
+    **integer(4) tallies(i) % n_score_bins**
+
+        Number of scoring bins.
+
+    *do j = 1, tallies(i) % n_score_bins*
+
+        **integer(4) tallies(i) % score_bins(j)**
+
+            Values of specified scoring bins (e.g. SCORE_FLUX).
+            
+    *do j = 1, tallies(i) % n_score_bins*
+
+        **integer(4) tallies(i) % scatt_order(j)**
+
+            Scattering Order specified scoring bins.
+            
+    **integer(4) tallies(i) % n_score_bins**
+
+        Number of scoring bins without accounting for those added by
+        the scatter-pn command.
+
+**integer(4) source_present**
+
+    Flag indicated if source bank is present in the file
+
+**integer(4) n_realizations**
+
+    Number of realizations for global tallies.
+
+**integer(4) N_GLOBAL_TALLIES**
+
+    Number of global tally scores
+
+*do i = 1, N_GLOBAL_TALLIES*
+
+    **real(8) global_tallies(i) % sum**
+
+        Accumulated sum for the i-th global tally
+
+    **real(8) global_tallies(i) % sum_sq**
+
+        Accumulated sum of squares for the i-th global tally
+
+**integer(4) tallies_on**
+
+    Flag indicated if tallies are present in the file.
+
+if (tallies_on > 0)
+
+    *do i = 1, n_tallies*
+
+        *do k = 1, size(tallies(i) % scores, 2)*
+
+            *do j = 1, size(tallies(i) % scores, 1)*
+
+                **real(8) tallies(i) % scores(j,k) % sum**
+            
+                    Accumulated sum for the j-th score and k-th filter of the
+                    i-th tally
+
+                **real(8) tallies(i) % scores(j,k) % sum_sq**
+
+                    Accumulated sum of squares for the j-th score and k-th
+                    filter of the i-th tally
+
+if (run_mode == MODE_EIGENVALUE and source_present)
+
+    *do i = 1, n_particles*
+
+        **real(8) source_bank(i) % wgt**
+
+            Weight of the i-th source particle
+
+        **real(8) source_bank(i) % xyz(1:3)**
+
+            Coordinates of the i-th source particle.
+
+        **real(8) source_bank(i) % uvw(1:3)**
+
+            Direction of the i-th source particle
+
+        **real(8) source_bank(i) % E**
+
+            Energy of the i-th source particle.
+
 -----------
 Revision 12
 -----------

src/constants.F90

@@ -11,7 +11,7 @@ module constants
   integer, parameter :: VERSION_RELEASE = 1
 
   ! Revision numbers for binary files
-  integer, parameter :: REVISION_STATEPOINT       = 12
+  integer, parameter :: REVISION_STATEPOINT       = 13
   integer, parameter :: REVISION_PARTICLE_RESTART = 1
 
   ! Binary file types

src/eigenvalue.F90

@@ -23,6 +23,7 @@ module eigenvalue
                           reset_result
   use tracking,     only: transport
 
+  implicit none
   private
   public :: run_eigenvalue
 

src/endf.F90

@@ -3,6 +3,8 @@ module endf
   use constants
   use string, only: to_str
 
+  implicit none
+
 contains
 
 !===============================================================================

src/energy_grid.F90

@@ -3,6 +3,8 @@ module energy_grid
   use constants, only: N_LOG_BINS
   use global
 
+  implicit none
+
 contains
 
 !===============================================================================

src/fixed_source.F90

@@ -11,6 +11,8 @@ module fixed_source
   use tally,           only: synchronize_tallies, setup_active_usertallies
   use tracking,        only: transport
 
+  implicit none
+
 contains
 
   subroutine run_fixedsource()

src/search.F90

@@ -3,6 +3,8 @@ module search
   use constants
   use error,     only: fatal_error
 
+  implicit none
+
   integer, parameter :: MAX_ITERATION = 64
 
   interface binary_search

src/state_point.F90

@@ -83,7 +83,6 @@ contains
       ! Write run information
       call sp % write_data(run_mode, "run_mode")
       call sp % write_data(n_particles, "n_particles")
-      call sp % write_data(n_batches, "n_batches")
 
       ! Write out current batch number
       call sp % write_data(current_batch, "current_batch")
@@ -306,7 +305,7 @@ contains
         ! Set filename
         filename = trim(path_output) // 'source.' // &
             & zero_padded(current_batch, count_digits(n_batches))
- 
+
 #ifdef HDF5
         filename = trim(filename) // '.h5'
 #else
@@ -568,14 +567,15 @@ contains
     ! Read and overwrite run information except number of batches
     call sp % read_data(run_mode, "run_mode")
     call sp % read_data(n_particles, "n_particles")
-    call sp % read_data(int_array(1), "n_batches")
-
-    ! Take maximum of statepoint n_batches and input n_batches
-    n_batches = max(n_batches, int_array(1))
 
     ! Read batch number to restart at
     call sp % read_data(restart_batch, "current_batch")
 
+    if (restart_batch > n_batches) then
+      call fatal_error("The number batches specified in settings.xml is fewer &
+           & than the number of batches in the given statepoint file.")
+    end if
+
     ! Read information specific to eigenvalue run
     if (run_mode == MODE_EIGENVALUE) then
       call sp % read_data(int_array(1), "n_inactive")

src/tracking.F90

@@ -16,6 +16,8 @@ module tracking
   use track_output,    only: initialize_particle_track, write_particle_track, &
                              finalize_particle_track
 
+  implicit none
+
 contains
 
 !===============================================================================

src/utils/statepoint.py

@@ -6,7 +6,7 @@ from collections import OrderedDict
 import numpy as np
 import scipy.stats
 
-REVISION_STATEPOINT = 12
+REVISION_STATEPOINT = 13
 
 filter_types = {1: 'universe', 2: 'material', 3: 'cell', 4: 'cellborn',
                 5: 'surface', 6: 'mesh', 7: 'energyin', 8: 'energyout'}
@@ -182,7 +182,6 @@ class StatePoint(object):
         # Read run information
         self.run_mode = self._get_int(path='run_mode')[0]
         self.n_particles = self._get_long(path='n_particles')[0]
-        self.n_batches = self._get_int(path='n_batches')[0]
 
         # Read current batch
         self.current_batch = self._get_int(path='current_batch')[0]