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221
docs/source/devguide/statepoint.rst
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@ -4,6 +4,227 @@
State Point Binary File Specifications
======================================
----------
Revision 6
----------
**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) n_batches**
Total number of batches (active + inactive).
**integer(4) current_batch**
The number of batches already simulated.
if (run_mode == MODE_CRITICALITY)
**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*
**real(8) k_batch(i)**
k-effective for the i-th batch
*do i = 1, current_batch*
**real(8) entropy(i)**
Shannon entropy for the i-th batch
**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).
**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_CRITICALITY)
*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 5
----------

3
docs/source/releasenotes/notes_0.5.0.rst
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@ -21,6 +21,9 @@ the problem at hand (mostly on the number of nuclides in the problem).
New Features
------------
- All user input options that formerly accepted "off" or "on" should now be
"false" or "true" (the proper XML schema datatype).
- The <criticality> element is deprecated and was replaced with <eigenvalue>.
- Added 'events' score that returns number of events that scored to a tally.
- Restructured tally filter implementation and user input.
- Source convergence acceleration via CMFD (implemented with PETSc).

83
docs/source/usersguide/input.rst
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@ -62,12 +62,12 @@ settings.xml file.
----------------------------------
The ``<confidence_intervals>`` element has no attributes and has an accepted
value of "on" or "off". If set to "on", uncertainties on tally results will be
reported as the half-width of the 95% two-sided confidence interval. If set to
"off", uncertainties on tally results will be reported as the sample standard
deviation.
value of "true" or "flase". If set to "true", uncertainties on tally results
will be reported as the half-width of the 95% two-sided confidence interval. If
set to "false", uncertainties on tally results will be reported as the sample
standard deviation.
*Default*: off
*Default*: false
.. _cross_sections:
@ -185,14 +185,14 @@ performed. It has the following attributes/sub-elements:
``<no_reduce>`` Element
-----------------------
The ``<no_reduce>`` element has no attributes and has an accepted value of "on"
or "off". If set to "on", all user-defined tallies and global tallies will not
be reduced across processors in a parallel calculation. This means that the
accumulate score in one batch on a single processor is considered as an
The ``<no_reduce>`` element has no attributes and has an accepted value of
"true" or "false". If set to "true", all user-defined tallies and global tallies
will not be reduced across processors in a parallel calculation. This means that
the accumulate score in one batch on a single processor is considered as an
independent realization for the tally random variable. For a problem with large
tally data, this option can significantly improve the parallel efficiency.
*Default*: off
*Default*: false
``<output>`` Element
--------------------
@ -217,9 +217,18 @@ sections summary file to be written, this element should be given as:
The ``<ptables>`` element determines whether probability tables should be used
in the unresolved resonance range if available. This element has no attributes
or sub-elements and can be set to either "off" or "on".
or sub-elements and can be set to either "false" or "true".
*Default*: on
*Default*: true
``<run_cmfd>`` Element
----------------------
The ``<run_cmfd>`` element indicates whether or not CMFD acceleration should be
turned on or off. This element has no attributes or sub-elements and can be set
to either "false" or "true".
*Defualt*: false
``<seed>`` Element
------------------
@ -340,20 +349,20 @@ attributes/sub-elements:
*Default*: None
:source_separate:
If this element is set to "on", a separate binary source file will be
If this element is set to "true", a separate binary source file will be
written. Otherwise, the source sites will be written in the state point
directly.
*Default*: "off"
*Default*: false
``<survival_biasing>`` Element
------------------------------
The ``<survival_biasing>`` element has no attributes and has an accepted value
of "on" or "off". If set to "on", this option will enable the use of survival
biasing, otherwise known as implicit capture or absorption.
of "true" or "false". If set to "true", this option will enable the use of
survival biasing, otherwise known as implicit capture or absorption.
*Default*: off
*Default*: false
.. _trace:
@ -990,14 +999,14 @@ sub-elements:
*Default*: None
--------------------------------------------
------------------------------
CMFD Specification -- cmfd.xml
--------------------------------------------
------------------------------
Coarse mesh finite difference acceleration method has been implemented in OpenMC.
Currently, it allows users to accelerate fission source convergence during
inactive neutron batches. To run CMFD, the ``<run_cmfd>`` element in
``settings.xml`` should be set to ``.true.``.
``settings.xml`` should be set to "true".
``<active_flush>`` Element
--------------------------
@ -1018,11 +1027,11 @@ The ``<begin>`` element controls what batch CMFD calculations should begin.
``<feedback>`` Element
----------------------
The ``<feedback>`` element controls whether or not the CMFD diffusion result is
used to adjust the weight of fission source neutrons on the next OpenMC batch.
It can be turned on with ".true." and off with ".false.".
The ``<feedback>`` element controls whether or not the CMFD diffusion result is
used to adjust the weight of fission source neutrons on the next OpenMC batch.
It can be turned on with "true" and off with "false".
*Default*: .false.
*Default*: false
``<inactive>`` Element
----------------------
@ -1030,9 +1039,9 @@ It can be turned on with ".true." and off with ".false.".
The ``<inactive>`` element controls if cmfd tallies should be accumulated
during inactive batches. For some applications, CMFD tallies may not be
needed until the start of active batches. This option can be turned on
with ".true." and off with ".false."
with "true" and off with "false"
*Default*: .true.
*Default*: true
``<keff_tol>`` Element
----------------------
@ -1047,11 +1056,11 @@ CMFD is allowed to modify source neutron weights.
-------------------------
The ``<ksp_monitor>`` element is used to view the convergence of linear GMRES
iterations in PETSc. This option can be turned on with ".true." and turned off
with ".false.".
iterations in PETSc. This option can be turned on with "true" and turned off
with "false".
*Default*: .false.
*Default*: false
``<mesh>`` Element
------------------
@ -1138,28 +1147,28 @@ processors used during OpenMC.
---------------------------
The ``<power_monitor>`` element is used to view the convergence of power iteration.
This option can be turned on with ".true." and turned off with ".false.".
This option can be turned on with "true" and turned off with "false".
*Default*: .false.
*Default*: false
``<write_balance>`` Element
---------------------------
The ``<write_balance>`` element is used to view the balance of OpenMC tally
residuals for every coarse mesh region and energy group. This option can be
turned on with ".true." and off with ".false.".
turned on with "true" and off with "false".
*Default*: .false.
*Default*: false
``<write_hdf5>`` Element
------------------------
The ``<write_hdf5>`` element can be turned on with ".true." to get an
The ``<write_hdf5>`` element can be turned on with "true" to get an
HDF5 output file of CMFD results.
*Default*: .false.
*Default*: false
``<write_matrices>`` Element
----------------------------
@ -1167,6 +1176,6 @@ HDF5 output file of CMFD results.
The ``<write_matrices>`` element is used to view the PETSc sparse matrices
created when solving CMFD equations. These binary output files can be imported
into MATLAB using PETSc-MATLAB utilities. This option can be
turned on with ".true." and off with ".false.".
turned on with "true" and off with "false".
*Default*: .false.
*Default*: false

35
docs/source/usersguide/install.rst
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@ -9,8 +9,8 @@ Prerequisites
-------------
In order to compile OpenMC, you will need to have a Fortran compiler installed
on your machine. Since a number of Fortran 2003 features are used in the code,
it is recommended that you use the latest version of whatever compiler you
on your machine. Since a number of Fortran 2003/2008 features are used in the
code, it is recommended that you use the latest version of whatever compiler you
choose. For gfortran_, it is recommended that you use version 4.5.0 or above.
If you are using Debian or a Debian derivative such as Ubuntu, you can install
@ -21,9 +21,10 @@ the gfortran compiler using the following command::
To compile with support for parallel runs on a distributed-memory architecture,
you will need to have a valid implementation of MPI installed on your
machine. The code has been tested and is known to work with the latest versions
of both OpenMPI_ and MPICH2_. You may use older versions of MPI implementations
at your own risk. OpenMPI and/or MPICH2 can be installed on Debian derivatives
with::
of both OpenMPI_ and MPICH2_. Note that if using OpenMPI, make sure that
--with-mpi-f90-size is not set to medium or large since this may prevent MPI
calls from completing successfully in OpenMC. OpenMPI and/or MPICH2 can be
installed on Debian derivatives with::
sudo apt-get install mpich2
sudo apt-get install openmpi-bin
@ -75,7 +76,7 @@ Options sections in the Makefile:
COMPILER
This variable tells the Makefile which compiler to use. Valid options are
gfortran, intel, pgi, ibm, and cray.
gnu, intel, pgi, ibm, and cray. The default is gnu (gfortran).
DEBUG
Enables debugging when compiling. The flags added are dependent on which
@ -85,17 +86,21 @@ PROFILE
Enables profiling using the GNU profiler, gprof.
OPTIMIZE
Enables high-optimization using compiler-dependent flags. For gfortran,
this compiles with -O3. For Intel Fortran, this compiles with -O3 as well as
interprocedural optimization.
Enables high-optimization using compiler-dependent flags. For gfortran and
Intel Fortran, this compiles with -O3.
USE_MPI
Enables parallel runs using the Message Passing Interface. Users should also
set the MPI_ROOT directory further down in the Makefile.
MPI
Enables parallel runs using the Message Passing Interface. The MPI_DIR
variable should be set to the base directory of the MPI implementation.
USE_HDF5
Enables HDF5 output in addition to normal screen and text file output. Users
should also set the HDF5_ROOT directory further down in the Makefile.
HDF5
Enables HDF5 output in addition to normal screen and text file output. The
HDF5_DIR variable should be set to the base directory of the HDF5
installation.
PETSC
Enables PETSc for use in CMFD acceleration. The PETSC_DIR variable should be
set to the base directory of the PETSc installation.
It is also possible to change these options from the command line itself. For
example, if you want to compile with DEBUG turned on without actually change the